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vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#História"> <div class="vector-toc-text"> <span class="vector-toc-numb">1</span> <span>História</span> </div> </a> <ul id="toc-História-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Úrovne" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Úrovne"> <div class="vector-toc-text"> <span class="vector-toc-numb">2</span> <span>Úrovne</span> </div> </a> <ul id="toc-Úrovne-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Metódy_určovania_chemickej_štruktúry" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Metódy_určovania_chemickej_štruktúry"> <div class="vector-toc-text"> <span class="vector-toc-numb">3</span> <span>Metódy určovania chemickej štruktúry</span> </div> </a> <ul id="toc-Metódy_určovania_chemickej_štruktúry-sublist" class="vector-toc-list"> </ul> </li> <li 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class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Zdroj"> <div class="vector-toc-text"> <span class="vector-toc-numb">7</span> <span>Zdroj</span> </div> </a> <ul id="toc-Zdroj-sublist" class="vector-toc-list"> </ul> </li> </ul> </div> </div> </nav> </div> </div> <div class="mw-content-container"> <main id="content" class="mw-body"> <header class="mw-body-header vector-page-titlebar"> <nav aria-label="Obsah" class="vector-toc-landmark"> <div id="vector-page-titlebar-toc" class="vector-dropdown vector-page-titlebar-toc vector-button-flush-left" > <input type="checkbox" id="vector-page-titlebar-toc-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-page-titlebar-toc" class="vector-dropdown-checkbox " aria-label="Prepnúť obsah" > <label id="vector-page-titlebar-toc-label" for="vector-page-titlebar-toc-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--icon-only " aria-hidden="true" ><span class="vector-icon mw-ui-icon-listBullet mw-ui-icon-wikimedia-listBullet"></span> <span class="vector-dropdown-label-text">Prepnúť obsah</span> </label> <div class="vector-dropdown-content"> <div id="vector-page-titlebar-toc-unpinned-container" class="vector-unpinned-container"> </div> </div> </div> </nav> <h1 id="firstHeading" class="firstHeading mw-first-heading"><span class="mw-page-title-main">Chemická štruktúra</span></h1> <div id="p-lang-btn" class="vector-dropdown mw-portlet mw-portlet-lang" > <input type="checkbox" id="p-lang-btn-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-p-lang-btn" class="vector-dropdown-checkbox mw-interlanguage-selector" aria-label="Prejsť na článok v inom jazyku. Je dostupný v 29 jazykoch" > <label id="p-lang-btn-label" for="p-lang-btn-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--action-progressive mw-portlet-lang-heading-29" aria-hidden="true" ><span class="vector-icon mw-ui-icon-language-progressive mw-ui-icon-wikimedia-language-progressive"></span> <span class="vector-dropdown-label-text">29 jazykov</span> </label> <div class="vector-dropdown-content"> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li class="interlanguage-link interwiki-ar mw-list-item"><a href="https://ar.wikipedia.org/wiki/%D8%A8%D9%86%D9%8A%D8%A9_%D9%83%D9%8A%D9%85%D9%8A%D8%A7%D8%A6%D9%8A%D8%A9" title="بنية كيميائية – arabčina" lang="ar" hreflang="ar" data-title="بنية كيميائية" data-language-autonym="العربية" data-language-local-name="arabčina" class="interlanguage-link-target"><span>العربية</span></a></li><li class="interlanguage-link interwiki-ary mw-list-item"><a href="https://ary.wikipedia.org/wiki/%D9%82%D9%84%D8%AF%D8%A9_%D9%83%D9%8A%D9%85%D8%A7%D9%88%D9%8A%D8%A9" title="قلدة كيماوية – arabština (marocká)" lang="ary" hreflang="ary" data-title="قلدة كيماوية" data-language-autonym="الدارجة" data-language-local-name="arabština (marocká)" class="interlanguage-link-target"><span>الدارجة</span></a></li><li class="interlanguage-link interwiki-bg mw-list-item"><a href="https://bg.wikipedia.org/wiki/%D0%A5%D0%B8%D0%BC%D0%B8%D1%87%D0%B5%D0%BD_%D1%81%D1%82%D1%80%D0%BE%D0%B5%D0%B6" title="Химичен строеж – bulharčina" lang="bg" hreflang="bg" data-title="Химичен строеж" data-language-autonym="Български" data-language-local-name="bulharčina" class="interlanguage-link-target"><span>Български</span></a></li><li class="interlanguage-link interwiki-ca mw-list-item"><a href="https://ca.wikipedia.org/wiki/Estructura_qu%C3%ADmica" title="Estructura química – katalánčina" lang="ca" hreflang="ca" data-title="Estructura química" data-language-autonym="Català" data-language-local-name="katalánčina" class="interlanguage-link-target"><span>Català</span></a></li><li class="interlanguage-link interwiki-ckb mw-list-item"><a href="https://ckb.wikipedia.org/wiki/%D9%BE%DB%8E%DA%A9%DA%BE%D8%A7%D8%AA%DB%95%DB%8C_%DA%A9%DB%8C%D9%85%DB%8C%D8%A7%DB%8C%DB%8C" title="پێکھاتەی کیمیایی – kurdčina (sorání)" lang="ckb" hreflang="ckb" data-title="پێکھاتەی کیمیایی" data-language-autonym="کوردی" data-language-local-name="kurdčina (sorání)" class="interlanguage-link-target"><span>کوردی</span></a></li><li class="interlanguage-link interwiki-cv mw-list-item"><a href="https://cv.wikipedia.org/wiki/%D0%A1%D1%82%D1%80%D1%83%D0%BA%D1%82%D1%83%D1%80%C4%83%D0%BB%D0%BB%D0%B0_%D1%85%D0%B8%D0%BC%D0%B8" title="Структурăлла хими – čuvaština" lang="cv" hreflang="cv" data-title="Структурăлла хими" data-language-autonym="Чӑвашла" data-language-local-name="čuvaština" class="interlanguage-link-target"><span>Чӑвашла</span></a></li><li class="interlanguage-link interwiki-de mw-list-item"><a href="https://de.wikipedia.org/wiki/Chemische_Struktur" title="Chemische Struktur – nemčina" lang="de" hreflang="de" data-title="Chemische Struktur" data-language-autonym="Deutsch" data-language-local-name="nemčina" class="interlanguage-link-target"><span>Deutsch</span></a></li><li class="interlanguage-link interwiki-en mw-list-item"><a href="https://en.wikipedia.org/wiki/Chemical_structure" title="Chemical structure – angličtina" lang="en" hreflang="en" data-title="Chemical structure" data-language-autonym="English" data-language-local-name="angličtina" class="interlanguage-link-target"><span>English</span></a></li><li class="interlanguage-link interwiki-es mw-list-item"><a href="https://es.wikipedia.org/wiki/Estructura_qu%C3%ADmica" title="Estructura química – španielčina" lang="es" hreflang="es" data-title="Estructura química" data-language-autonym="Español" data-language-local-name="španielčina" class="interlanguage-link-target"><span>Español</span></a></li><li class="interlanguage-link interwiki-et mw-list-item"><a href="https://et.wikipedia.org/wiki/Keemiline_struktuur" title="Keemiline struktuur – estónčina" lang="et" hreflang="et" data-title="Keemiline struktuur" data-language-autonym="Eesti" data-language-local-name="estónčina" class="interlanguage-link-target"><span>Eesti</span></a></li><li class="interlanguage-link interwiki-fa mw-list-item"><a href="https://fa.wikipedia.org/wiki/%D8%B3%D8%A7%D8%AE%D8%AA%D8%A7%D8%B1_%D8%B4%DB%8C%D9%85%DB%8C%D8%A7%DB%8C%DB%8C" title="ساختار شیمیایی – perzština" lang="fa" hreflang="fa" data-title="ساختار شیمیایی" data-language-autonym="فارسی" data-language-local-name="perzština" class="interlanguage-link-target"><span>فارسی</span></a></li><li class="interlanguage-link interwiki-fr mw-list-item"><a href="https://fr.wikipedia.org/wiki/Structure_chimique" title="Structure chimique – francúzština" lang="fr" hreflang="fr" data-title="Structure chimique" data-language-autonym="Français" data-language-local-name="francúzština" class="interlanguage-link-target"><span>Français</span></a></li><li class="interlanguage-link interwiki-ga mw-list-item"><a href="https://ga.wikipedia.org/wiki/Strucht%C3%BAr_ceimiceach" title="Struchtúr ceimiceach – írčina" lang="ga" hreflang="ga" data-title="Struchtúr ceimiceach" data-language-autonym="Gaeilge" data-language-local-name="írčina" class="interlanguage-link-target"><span>Gaeilge</span></a></li><li class="interlanguage-link interwiki-he mw-list-item"><a href="https://he.wikipedia.org/wiki/%D7%9E%D7%91%D7%A0%D7%94_%D7%9B%D7%99%D7%9E%D7%99" title="מבנה כימי – hebrejčina" lang="he" hreflang="he" data-title="מבנה כימי" data-language-autonym="עברית" data-language-local-name="hebrejčina" class="interlanguage-link-target"><span>עברית</span></a></li><li class="interlanguage-link interwiki-hi mw-list-item"><a href="https://hi.wikipedia.org/wiki/%E0%A4%B0%E0%A4%BE%E0%A4%B8%E0%A4%BE%E0%A4%AF%E0%A4%A8%E0%A4%BF%E0%A4%95_%E0%A4%B8%E0%A4%82%E0%A4%B0%E0%A4%9A%E0%A4%A8%E0%A4%BE" title="रासायनिक संरचना – hindčina" lang="hi" hreflang="hi" data-title="रासायनिक संरचना" data-language-autonym="हिन्दी" data-language-local-name="hindčina" class="interlanguage-link-target"><span>हिन्दी</span></a></li><li class="interlanguage-link interwiki-id mw-list-item"><a href="https://id.wikipedia.org/wiki/Struktur_kimia" title="Struktur kimia – indonézština" lang="id" hreflang="id" data-title="Struktur kimia" data-language-autonym="Bahasa Indonesia" data-language-local-name="indonézština" class="interlanguage-link-target"><span>Bahasa Indonesia</span></a></li><li class="interlanguage-link interwiki-ja mw-list-item"><a href="https://ja.wikipedia.org/wiki/%E5%8C%96%E5%AD%A6%E6%A7%8B%E9%80%A0" title="化学構造 – japončina" lang="ja" hreflang="ja" data-title="化学構造" data-language-autonym="日本語" data-language-local-name="japončina" class="interlanguage-link-target"><span>日本語</span></a></li><li class="interlanguage-link interwiki-kab mw-list-item"><a href="https://kab.wikipedia.org/wiki/Tamsuka_takrurant" title="Tamsuka takrurant – kabylčina" lang="kab" hreflang="kab" data-title="Tamsuka takrurant" data-language-autonym="Taqbaylit" data-language-local-name="kabylčina" class="interlanguage-link-target"><span>Taqbaylit</span></a></li><li class="interlanguage-link interwiki-ko mw-list-item"><a href="https://ko.wikipedia.org/wiki/%ED%99%94%ED%95%99_%EA%B5%AC%EC%A1%B0" title="화학 구조 – kórejčina" lang="ko" hreflang="ko" data-title="화학 구조" data-language-autonym="한국어" data-language-local-name="kórejčina" class="interlanguage-link-target"><span>한국어</span></a></li><li class="interlanguage-link interwiki-mk mw-list-item"><a href="https://mk.wikipedia.org/wiki/%D0%A5%D0%B5%D0%BC%D0%B8%D1%81%D0%BA%D0%B0_%D1%81%D1%82%D1%80%D1%83%D0%BA%D1%82%D1%83%D1%80%D0%B0" title="Хемиска структура – macedónčina" lang="mk" hreflang="mk" data-title="Хемиска структура" data-language-autonym="Македонски" data-language-local-name="macedónčina" class="interlanguage-link-target"><span>Македонски</span></a></li><li class="interlanguage-link interwiki-nds mw-list-item"><a href="https://nds.wikipedia.org/wiki/Cheemsch_Struktur" title="Cheemsch Struktur – dolná nemčina" lang="nds" hreflang="nds" data-title="Cheemsch Struktur" data-language-autonym="Plattdüütsch" data-language-local-name="dolná nemčina" class="interlanguage-link-target"><span>Plattdüütsch</span></a></li><li class="interlanguage-link interwiki-nl mw-list-item"><a href="https://nl.wikipedia.org/wiki/Chemische_structuur" title="Chemische structuur – holandčina" lang="nl" hreflang="nl" data-title="Chemische structuur" data-language-autonym="Nederlands" data-language-local-name="holandčina" class="interlanguage-link-target"><span>Nederlands</span></a></li><li class="interlanguage-link interwiki-pt mw-list-item"><a href="https://pt.wikipedia.org/wiki/Estrutura_qu%C3%ADmica" title="Estrutura química – portugalčina" lang="pt" hreflang="pt" data-title="Estrutura química" data-language-autonym="Português" data-language-local-name="portugalčina" class="interlanguage-link-target"><span>Português</span></a></li><li class="interlanguage-link interwiki-ro mw-list-item"><a href="https://ro.wikipedia.org/wiki/Structur%C4%83_chimic%C4%83" title="Structură chimică – rumunčina" lang="ro" hreflang="ro" data-title="Structură chimică" data-language-autonym="Română" data-language-local-name="rumunčina" class="interlanguage-link-target"><span>Română</span></a></li><li class="interlanguage-link interwiki-sh mw-list-item"><a href="https://sh.wikipedia.org/wiki/Hemijska_struktura" title="Hemijska struktura – srbochorvátčina" lang="sh" hreflang="sh" data-title="Hemijska struktura" data-language-autonym="Srpskohrvatski / српскохрватски" data-language-local-name="srbochorvátčina" 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srcset="//upload.wikimedia.org/wikipedia/commons/thumb/8/84/Phosphorus-pentoxide-2D-dimensions.svg/450px-Phosphorus-pentoxide-2D-dimensions.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/8/84/Phosphorus-pentoxide-2D-dimensions.svg/600px-Phosphorus-pentoxide-2D-dimensions.svg.png 2x" data-file-width="1093" data-file-height="1100" /></a><figcaption>Dvojdimenzionálna chemická štruktúra oxidu fosforečného (P<sub>4</sub>O<sub>10</sub>)</figcaption></figure> <p><b>Chemická štruktúra</b> popisuje <a href="/w/index.php?title=Molekul%C3%A1rna_geometria&action=edit&redlink=1" class="new" title="Molekulárna geometria (stránka neexistuje)">molekulárnu geometriu</a> a, ak je to možné a nutné, <a href="/w/index.php?title=Elektr%C3%B3nov%C3%A1_%C5%A1trukt%C3%BAra&action=edit&redlink=1" class="new" title="Elektrónová štruktúra (stránka neexistuje)">elektrónovú štruktúru</a> danej <a href="/wiki/Molekula" title="Molekula">molekuly</a> alebo inej látky. Molekulárna geometria popisuje priestorové usporiadanie <a href="/wiki/At%C3%B3m" title="Atóm">atómov</a> v molekule a <a href="/wiki/Chemick%C3%A1_v%C3%A4zba" title="Chemická väzba">chemické väzby</a>, ktoré držia tieto atómy pokope. Môže byť popísaná <a href="/wiki/%C5%A0trukt%C3%BArny_vzorec" title="Štruktúrny vzorec">štruktúrnym vzorcom</a> alebo <a href="/w/index.php?title=Molekul%C3%A1rny_model&action=edit&redlink=1" class="new" title="Molekulárny model (stránka neexistuje)">molekulárnymi modelmi</a>.<sup id="cite_ref-1" class="reference"><a href="#cite_note-1"><span class="cite-bracket">[</span>1<span class="cite-bracket">]</span></a></sup> Celková elektrónová štruktúra popisuje i obsadenie jednotlivých <a href="/wiki/Molekul%C3%A1rny_orbit%C3%A1l" class="mw-redirect" title="Molekulárny orbitál">molekulárnych orbitálov</a> v molekule.<sup id="cite_ref-2" class="reference"><a href="#cite_note-2"><span class="cite-bracket">[</span>2<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-3" class="reference"><a href="#cite_note-3"><span class="cite-bracket">[</span>3<span class="cite-bracket">]</span></a></sup> Popis chemickej štruktúry je možný pre rôzne druhy molekúl od malých molekúl (napríklad <a href="/w/index.php?title=Diat%C3%B3mov%C3%A1_zl%C3%BA%C4%8Denina&action=edit&redlink=1" class="new" title="Diatómová zlúčenina (stránka neexistuje)">diatómový</a> <a href="/wiki/Molekul%C3%A1rny_kysl%C3%ADk" class="mw-redirect" title="Molekulárny kyslík">molekulárny kyslík</a> či <a href="/w/index.php?title=Molekul%C3%A1rny_dus%C3%ADk&action=edit&redlink=1" class="new" title="Molekulárny dusík (stránka neexistuje)">dusík</a>) až po veľmi zložité molekuly (napríklad <a href="/wiki/Bielkovina" title="Bielkovina">bielkoviny</a> či <a href="/wiki/Deoxyribonukleov%C3%A1_kyselina" title="Deoxyribonukleová kyselina">DNA</a>). </p> <meta property="mw:PageProp/toc" /> <div class="mw-heading mw-heading2"><h2 id="História"><span id="Hist.C3.B3ria"></span>História</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=1" title="Upraviť sekciu: História" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=1" title="Editovat zdrojový kód sekce História"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>Teóriu chemickej štruktúry vyvinuli <a href="/wiki/August_Kekul%C3%A9" class="mw-redirect" title="August Kekulé">August Kekulé</a>, <a href="/w/index.php?title=Archibald_Scott_Cuoper&action=edit&redlink=1" class="new" title="Archibald Scott Cuoper (stránka neexistuje)">Archibald Scott Cuoper</a> a <a href="/w/index.php?title=Aleksandr_Butlerov&action=edit&redlink=1" class="new" title="Aleksandr Butlerov (stránka neexistuje)">Aleksandr Butlerov</a>, spolu s ďalšími, približne od roku 1858 ďalej.<sup id="cite_ref-:1_4-0" class="reference"><a href="#cite_note-:1-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup> Tieto teórie boli prvé, ktoré hovorili, že chemické látky nie sú náhodné zhluky atómov a funkčných skupín, ale že majú definované usporiadanie dané <a href="/w/index.php?title=Valencia_(ch%C3%A9mia)&action=edit&redlink=1" class="new" title="Valencia (chémia) (stránka neexistuje)">valenciou</a> <a href="/wiki/At%C3%B3m" title="Atóm">atómov</a>, z ktorých sa molekuly skladali, čo im dávalo trojdimenzionálnu štruktúru, ktorú bolo možné určiť alebo stanoviť. </p><p>Pred ich teóriami bolo vnímanie chemickej štruktúry látok rôznorodé. Nebolo jasné, či sa teórie aplikované na anorganickú chémiu môžu aplikovať i na organickú chémiu, ktorá vtedy bola novým odborom. <a href="/wiki/Jean-Baptiste_Dumas" class="mw-redirect" title="Jean-Baptiste Dumas">Jean-Baptiste Dumas</a> napríklad v roku 1840 klasifikoval látky podľa substitučných reakcií – ak sa z jednej látky pomocou substitúcie stala iná, látky boli toho istého typu.<sup id="cite_ref-:1_4-1" class="reference"><a href="#cite_note-:1-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup> Williamson a Odling hovorili o „radikáloch“, z ktorých sa jednotlivé molekuly skladali.<sup id="cite_ref-:1_4-2" class="reference"><a href="#cite_note-:1-4"><span class="cite-bracket">[</span>4<span class="cite-bracket">]</span></a></sup> </p> <div class="mw-heading mw-heading2"><h2 id="Úrovne"><span id=".C3.9Arovne"></span>Úrovne</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=2" title="Upraviť sekciu: Úrovne" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=2" title="Editovat zdrojový kód sekce Úrovne"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>Pri určovaní chemickej štruktúry je nutné rozlišovať medzi samotným prepojením atómov v rámci molekuly (<a href="/w/index.php?title=Chemick%C3%A1_kon%C5%A1tit%C3%BAcia&action=edit&redlink=1" class="new" title="Chemická konštitúcia (stránka neexistuje)">chemická konštitúcia</a>), popisom ich trojdimenzionálneho usporiadania (<a href="/w/index.php?title=Molekul%C3%A1rna_konfigur%C3%A1cia&action=edit&redlink=1" class="new" title="Molekulárna konfigurácia (stránka neexistuje)">molekulárna konfigurácia</a>, ktorá uvádza i informácie napríklad o <a href="/wiki/Chiralita_(ch%C3%A9mia)" title="Chiralita (chémia)">chiralite</a>) a presným určením väzbových dĺžok, uhlov a torzných uhlov, teda kompletnej reprezentácie (relatívnych) atómových koordinát. Tieto tri úrovne určovania šturktúry je možné vnímať ako postupné spresňovanie znalostí geometrie danej molekuly (najnižšou úrovňou je konštitúcia, potom konfigurácia a nakoniec najvyššou je presný 3D model s hodnotami dĺžok a uhlov väzieb a torzných uhlov). </p><p> Určovanie štruktúry <a href="/wiki/Chemick%C3%A1_zl%C3%BA%C4%8Denina" title="Chemická zlúčenina">chemických zlúčenín</a> má väčšinou za úlohu určiť spôsob, ktorým sú jednotlivé atómy prepojené a väzbovosť jednotlivých väzieb. Ak je to možné, určovanie štruktúry vedie k trojdimenzionálnej reprezentácii priestorových koordinát atómov v molekule (alebo inej látke).<sup id="cite_ref-5" class="reference"><a href="#cite_note-5"><span class="cite-bracket">[</span>5<span class="cite-bracket">]</span></a></sup></p><ul class="gallery mw-gallery-traditional"> <li class="gallerybox" style="width: 155px"> <div class="thumb" style="width: 150px; height: 150px;"><span typeof="mw:File"><a href="/wiki/S%C3%BAbor:Alanin_-_Alanine.svg" class="mw-file-description" title="Vzorec alanínu. Ukazuje prepojenie jednotlivých atómov, ale neukazuje informácie o chiralite a presnom priestorovom usporiadaní."><img alt="Vzorec alanínu. Ukazuje prepojenie jednotlivých atómov, ale neukazuje informácie o chiralite a presnom priestorovom usporiadaní." src="//upload.wikimedia.org/wikipedia/commons/thumb/6/6f/Alanin_-_Alanine.svg/120px-Alanin_-_Alanine.svg.png" decoding="async" width="120" height="90" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/6/6f/Alanin_-_Alanine.svg/180px-Alanin_-_Alanine.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/6/6f/Alanin_-_Alanine.svg/240px-Alanin_-_Alanine.svg.png 2x" data-file-width="162" data-file-height="121" /></a></span></div> <div class="gallerytext">Vzorec <a href="/wiki/Alan%C3%ADn" title="Alanín">alanínu</a>. Ukazuje prepojenie jednotlivých atómov, ale neukazuje informácie o chiralite a presnom priestorovom usporiadaní.</div> </li> <li class="gallerybox" style="width: 155px"> <div class="thumb" style="width: 150px; height: 150px;"><span typeof="mw:File"><a href="/wiki/S%C3%BAbor:Lactic-acid-skeletal.png" class="mw-file-description" title="Vzorec kyseliny mliečnej. Ukazuje takisto i priestorové usporiadanie na alfa uhlíku."><img alt="Vzorec kyseliny mliečnej. Ukazuje takisto i priestorové usporiadanie na alfa uhlíku." src="//upload.wikimedia.org/wikipedia/commons/thumb/2/23/Lactic-acid-skeletal.png/120px-Lactic-acid-skeletal.png" decoding="async" width="120" height="110" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/2/23/Lactic-acid-skeletal.png/180px-Lactic-acid-skeletal.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/2/23/Lactic-acid-skeletal.png/240px-Lactic-acid-skeletal.png 2x" data-file-width="1100" data-file-height="1012" /></a></span></div> <div class="gallerytext">Vzorec <a href="/wiki/Kyselina_mlie%C4%8Dna" title="Kyselina mliečna">kyseliny mliečnej</a>. Ukazuje takisto i priestorové usporiadanie na <a href="/wiki/Alfa_uhl%C3%ADk" class="mw-redirect" title="Alfa uhlík">alfa uhlíku</a>.</div> </li> <li class="gallerybox" style="width: 155px"> <div class="thumb" style="width: 150px; height: 150px;"><span typeof="mw:File"><a href="/wiki/S%C3%BAbor:Phosgene-dimensions-2D.svg" class="mw-file-description" title="Vzorec fosgénu. V tomto vzorci sú presne zobrazené i väzbové dĺžky jednotlivých väzieb a väzbový uhol."><img alt="Vzorec fosgénu. V tomto vzorci sú presne zobrazené i väzbové dĺžky jednotlivých väzieb a väzbový uhol." src="//upload.wikimedia.org/wikipedia/commons/thumb/5/50/Phosgene-dimensions-2D.svg/120px-Phosgene-dimensions-2D.svg.png" decoding="async" width="120" height="76" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/5/50/Phosgene-dimensions-2D.svg/180px-Phosgene-dimensions-2D.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/5/50/Phosgene-dimensions-2D.svg/240px-Phosgene-dimensions-2D.svg.png 2x" data-file-width="512" data-file-height="323" /></a></span></div> <div class="gallerytext">Vzorec <a href="/wiki/Fosg%C3%A9n" title="Fosgén">fosgénu</a>. V tomto vzorci sú presne zobrazené i <a href="/w/index.php?title=V%C3%A4zbov%C3%A1_d%C4%BA%C5%BEka&action=edit&redlink=1" class="new" title="Väzbová dĺžka (stránka neexistuje)">väzbové dĺžky</a> jednotlivých väzieb a <a href="/w/index.php?title=V%C3%A4zbov%C3%BD_uhol&action=edit&redlink=1" class="new" title="Väzbový uhol (stránka neexistuje)">väzbový uhol</a>.</div> </li> </ul> <div class="mw-heading mw-heading2"><h2 id="Metódy_určovania_chemickej_štruktúry"><span id="Met.C3.B3dy_ur.C4.8Dovania_chemickej_.C5.A1trukt.C3.BAry"></span>Metódy určovania chemickej štruktúry</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=3" title="Upraviť sekciu: Metódy určovania chemickej štruktúry" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=3" title="Editovat zdrojový kód sekce Metódy určovania chemickej štruktúry"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>Medzi metódy, ktorými je možné určiť chemickú štruktúru, patria tieto metódy: </p> <ul><li>určovanie len prepojenia medzi atómami: <ul><li><a href="/wiki/Spektroskopia" title="Spektroskopia">spektroskopie</a>: <ul><li><a href="/wiki/Nukle%C3%A1rna_magnetick%C3%A1_rezonancia" title="Nukleárna magnetická rezonancia">nukleárna magnetická rezonancia</a> (<a href="/w/index.php?title=Prot%C3%B3nov%C3%A1_nukle%C3%A1rna_magnetick%C3%A1_rezonan%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Protónová nukleárna magnetická rezonančná spektroskopia (stránka neexistuje)"><sup>1</sup>H</a> alebo <a href="/w/index.php?title=13C_nukle%C3%A1rna_magnetick%C3%A1_rezonan%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="13C nukleárna magnetická rezonančná spektroskopia (stránka neexistuje)"><sup>13</sup>C NMR</a>) a jej rôzne varianty</li> <li>rôzne metódy <a href="/wiki/Hmotnostn%C3%A1_spektrometria" title="Hmotnostná spektrometria">hmotnostnej spektrometrie</a> (ktoré umožňujú určiť celkovú molekulárnu hmotnosť a i hmotnosti fragmentov)</li> <li><a href="/w/index.php?title=Absorp%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Absorpčná spektroskopia (stránka neexistuje)">absorpčná spektroskopia</a> a <a href="/w/index.php?title=Vibra%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Vibračná spektroskopia (stránka neexistuje)">vibračná spektroskopia</a> – <a href="/wiki/Infra%C4%8Derven%C3%A1_spektroskopia" title="Infračervená spektroskopia">infračervená</a> a <a href="/w/index.php?title=Ramanova_spektroskopia&action=edit&redlink=1" class="new" title="Ramanova spektroskopia (stránka neexistuje)">Ramanova</a> – umožňujú dôležité podporné informácie o počte a vzájomnej polohe násobných väzieb a takisto o druhu funkčných skupín (ktorých vlastné vnútorné usporiadanie dáva identifikovateľné vibračné dáta)</li></ul></li> <li>doplnkové informácie ohľadne elektronickej štruktúry je možné získať pomocou <a href="/w/index.php?title=Cyklick%C3%A1_voltametria&action=edit&redlink=1" class="new" title="Cyklická voltametria (stránka neexistuje)">cyklickej voltametrie</a> a <a href="/w/index.php?title=R%C3%B6ntgenov%C3%A1_fotoelektr%C3%B3nov%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Röntgenová fotoelektrónová spektroskopia (stránka neexistuje)">röntgenovej fotoelektrónovej spektroskopie</a></li></ul></li> <li>pre určovaní presných informácii o trojdimenzionálnej štruktúre: <ul><li>pre plyny pomocou <a href="/w/index.php?title=Plynov%C3%A1_elektr%C3%B3nov%C3%A1_difrakcia&action=edit&redlink=1" class="new" title="Plynová elektrónová difrakcia (stránka neexistuje)">plynovej elektrónovej difrakcie</a> a <a href="/w/index.php?title=Mikrovlnn%C3%A1_rota%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Mikrovlnná rotačná spektroskopia (stránka neexistuje)">mikrovlnnej rotačnej spektroskopie</a> (a ďalších rotačných spektroskopiách)</li> <li>pre kryštalické látky pomocou <a href="/w/index.php?title=R%C3%B6ntgenov%C3%A1_kry%C5%A1talografia&action=edit&redlink=1" class="new" title="Röntgenová kryštalografia (stránka neexistuje)">röntgenovou kryštalografiou</a><sup id="cite_ref-:0_6-0" class="reference"><a href="#cite_note-:0-6"><span class="cite-bracket">[</span>6<span class="cite-bracket">]</span></a></sup> alebo <a href="/w/index.php?title=Neutr%C3%B3nov%C3%A1_difrakcia&action=edit&redlink=1" class="new" title="Neutrónová difrakcia (stránka neexistuje)">neutrónovou difrakciou</a>. Tieto metódy môžu vytvoriť trojdimenzionálne modely s <a href="/w/index.php?title=Optick%C3%A9_rozl%C3%AD%C5%A1enie&action=edit&redlink=1" class="new" title="Optické rozlíšenie (stránka neexistuje)">rozlíšením</a> na škále atómov, typicky s presnosťou 0,001 Å pre vzdialenosti a 0,1 ° pre uhly (vo výnimočných prípadoch i s lepším rozlíšením)<sup id="cite_ref-:0_6-1" class="reference"><a href="#cite_note-:0-6"><span class="cite-bracket">[</span>6<span class="cite-bracket">]</span></a></sup><sup id="cite_ref-7" class="reference"><a href="#cite_note-7"><span class="cite-bracket">[</span>7<span class="cite-bracket">]</span></a></sup></li></ul></li></ul> <p>Dodatočné informácie je možné zistiť pomocou ďalších metód: ak má molekula nepárový elektrónový spín v nejakej <a href="/wiki/Funk%C4%8Dn%C3%A1_skupina" title="Funkčná skupina">funkčnej skupine</a>, je možné využiť <a href="/w/index.php?title=ENDOR&action=edit&redlink=1" class="new" title="ENDOR (stránka neexistuje)">ENDOR</a> a <a href="/w/index.php?title=Elektr%C3%B3nov%C3%A1_paramagnetick%C3%A1_rezonan%C4%8Dn%C3%A1_spektroskopia&action=edit&redlink=1" class="new" title="Elektrónová paramagnetická rezonančná spektroskopia (stránka neexistuje)">elektrónovú paramagnetickú rezonančnú spektroskopiu</a>. Tieto techniky sú o to dôležitejšie, ak molekuly obsahujú atómy kovov a keď kryštály vyžadované v kryštalografii alebo druhy atómov vyžadované na NMR nie sú dostupné na určenie štruktúry molekuly. Nakoniec je v niektorých prípadoch možné použiť i špecializované metódy, ako je napríklad <a href="/w/index.php?title=Elektr%C3%B3nov%C3%A1_mikroskopia&action=edit&redlink=1" class="new" title="Elektrónová mikroskopia (stránka neexistuje)">elektrónová mikroskopia</a>. </p> <div class="mw-heading mw-heading2"><h2 id="Referencie">Referencie</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=4" title="Upraviť sekciu: Referencie" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=4" title="Editovat zdrojový kód sekce Referencie"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <div class="references"><div class="mw-references-wrap"><ol class="references"> <li id="cite_note-1"><span class="mw-cite-backlink"><a href="#cite_ref-1">↑</a></span> <span class="reference-text"><cite style="font-style:normal">HAALAND, ARNE.. <i>Molecules and models : the molecular structures of main group element compounds</i>. Oxford : Oxford University Press, 2008. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/173809048">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/978-0-19-923535-3" title="Špeciálne:KnižnéZdroje/978-0-19-923535-3">ISBN <span class="ISBN">978-0-19-923535-3</span></a></span>. </cite></span> </li> <li id="cite_note-2"><span class="mw-cite-backlink"><a href="#cite_ref-2">↑</a></span> <span class="reference-text"><cite style="font-style:normal">WEINHOLD, FRANK, 1941-. <i>Valency and bonding : a natural bond orbital donor-acceptor perspective</i>. Cambridge, UK : Cambridge University Press, 2005. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/59712377">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/0-521-83128-8" title="Špeciálne:KnižnéZdroje/0-521-83128-8">ISBN <span class="ISBN">0-521-83128-8</span></a></span>. </cite></span> </li> <li id="cite_note-3"><span class="mw-cite-backlink"><a href="#cite_ref-3">↑</a></span> <span class="reference-text"><cite style="font-style:normal">GILLESPIE, RONALD J. (RONALD JAMES). <i>Chemical bonding and molecular geometry : from Lewis to electron densities</i>. New York : Oxford University Press, 2001. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/43552798">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/0-19-510495-1" title="Špeciálne:KnižnéZdroje/0-19-510495-1">ISBN <span class="ISBN">0-19-510495-1</span></a></span>. </cite></span> </li> <li id="cite_note-:1-4"><span class="mw-cite-backlink">↑ <a href="#cite_ref-:1_4-0"><sup style="font-style: italic; font-weight: bold; vertical-align: top">a</sup></a> <a href="#cite_ref-:1_4-1"><sup style="font-style: italic; font-weight: bold; vertical-align: top">b</sup></a> <a href="#cite_ref-:1_4-2"><sup style="font-style: italic; font-weight: bold; vertical-align: top">c</sup></a></span> <span class="reference-text"><cite style="font-style:normal">ROCKE, A. J.. Kekulé, Butlerov, and the Historiography of the Theory of Chemical Structure. <i>The British Journal for the History of Science</i>, 1981-03, roč. 14, čís. 1, s. 27–57. <a rel="nofollow" class="external text" href="https://www.cambridge.org/core/product/identifier/S0007087400018276/type/journal_article">Dostupné online</a> [cit. 2022-08-12]. <a href="/wiki/ISSN" title="ISSN">ISSN</a> <a rel="nofollow" class="external text" href="https://worldcat.org/issn/0007-0874">0007-0874</a>. <a href="/wiki/Digital_Object_Identifier" title="Digital Object Identifier">DOI</a>: <a rel="nofollow" class="external text" href="https://dx.doi.org/10.1017%2FS0007087400018276">10.1017/S0007087400018276</a>. (po anglicky)</cite></span> </li> <li id="cite_note-5"><span class="mw-cite-backlink"><a href="#cite_ref-5">↑</a></span> <span class="reference-text"><cite style="font-style:normal">WELLS, A. F. (ALEXANDER FRANK), 1912-. <i>Structural inorganic chemistry</i>. Fifth. vyd. Oxford : [s.n.], July 12, 2012. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/801026482">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/978-0-19-965763-6" title="Špeciálne:KnižnéZdroje/978-0-19-965763-6">ISBN <span class="ISBN">978-0-19-965763-6</span></a></span>. </cite></span> </li> <li id="cite_note-:0-6"><span class="mw-cite-backlink">↑ <a href="#cite_ref-:0_6-0"><sup style="font-style: italic; font-weight: bold; vertical-align: top">a</sup></a> <a href="#cite_ref-:0_6-1"><sup style="font-style: italic; font-weight: bold; vertical-align: top">b</sup></a></span> <span class="reference-text"><cite style="font-style:normal">RANKIN, DAVID W. H.. <i>Structural methods in molecular inorganic chemistry</i>. Chichester, West Sussex, United Kingdom : [s.n.], January 2, 2013. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/810442747">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/978-1-118-46288-1" title="Špeciálne:KnižnéZdroje/978-1-118-46288-1">ISBN <span class="ISBN">978-1-118-46288-1</span></a></span>. </cite></span> </li> <li id="cite_note-7"><span class="mw-cite-backlink"><a href="#cite_ref-7">↑</a></span> <span class="reference-text"><cite style="font-style:normal">GLUSKER, JENNY PICKWORTH.. <i>Crystal structure analysis for chemists and biologists</i>. New York : VCH, 1994. <a rel="nofollow" class="external text" href="https://www.worldcat.org/oclc/25412161">Dostupné online.</a> <span style="white-space:nowrap"><a href="/wiki/%C5%A0peci%C3%A1lne:Kni%C5%BEn%C3%A9Zdroje/0-89573-273-4" title="Špeciálne:KnižnéZdroje/0-89573-273-4">ISBN <span class="ISBN">0-89573-273-4</span></a></span>. </cite></span> </li> </ol></div></div> <div class="mw-heading mw-heading2"><h2 id="Pozri_aj">Pozri aj</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=5" title="Upraviť sekciu: Pozri aj" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=5" title="Editovat zdrojový kód sekce Pozri aj"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><a href="/w/index.php?title=%C5%A0trukt%C3%BArna_ch%C3%A9mia&action=edit&redlink=1" class="new" title="Štruktúrna chémia (stránka neexistuje)">Štruktúrna chémia</a></li> <li><a href="/wiki/%C5%A0trukt%C3%BArny_vzorec" title="Štruktúrny vzorec">Štruktúrny vzorec</a></li> <li><a href="/w/index.php?title=Kry%C5%A1talografick%C3%A1_datab%C3%A1za&action=edit&redlink=1" class="new" title="Kryštalografická databáza (stránka neexistuje)">Kryštalografická databáza</a></li> <li><a href="/wiki/Pauliho_vylu%C4%8Dovac%C3%AD_princ%C3%ADp" title="Pauliho vylučovací princíp">Pauliho vylučovací princíp</a></li></ul> <div class="mw-heading mw-heading2"><h2 id="Ďalšie_zdroje"><span id=".C4.8Eal.C5.A1ie_zdroje"></span>Ďalšie zdroje</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&veaction=edit&section=6" title="Upraviť sekciu: Ďalšie zdroje" class="mw-editsection-visualeditor"><span>upraviť</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Chemick%C3%A1_%C5%A1trukt%C3%BAra&action=edit&section=6" title="Editovat zdrojový kód sekce Ďalšie zdroje"><span>upraviť zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><cite style="font-style:normal">GALLAGHER, Warren. <i>Lecture 7: Structure Determination by X-ray Crystallography</i>. Eau Claire, WI, USA : University of Wisconsin-Eau Claire, Department of Chemistry, 2006. <a rel="nofollow" class="external text" href="http://www.chem.uwec.edu/Chem406_F06/Pages/lecture_notes/lect07/C406-lect07-notes.pdf">Dostupné online.</a> </cite></li> <li><cite style="font-style:normal">WARD, S. C.; LIGHTFOOT, M. P.; BRUNO, I. J.. <i>The Cambridge Structural Database</i>. [s.l.] : [s.n.], 2016-04-01. <a rel="nofollow" class="external text" href="https://journals.iucr.org/b/issues/2016/02/00/bm5086/index.html#BB59">Dostupné online.</a> <a href="/wiki/Digital_Object_Identifier" title="Digital Object Identifier">DOI</a>:<a rel="nofollow" class="external text" href="https://dx.doi.org/10.1107/S2052520616003954">10.1107/S2052520616003954</a> S. 171–179. 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