Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide
Identifikátory výsledku
Kód výsledku v IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F13%3A39896299" target="_blank" >RIV/00216275:25310/13:39896299 - isvavai.cz</a>
Výsledek na webu
<a href="http://pubs.acs.org/doi/abs/10.1021/om3012344" target="_blank" >http://pubs.acs.org/doi/abs/10.1021/om3012344</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/om3012344" target="_blank" >10.1021/om3012344</a>
Alternativní jazyky
Jazyk výsledku
angličtina
Název v původním jazyce
Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide
Popis výsledku v původním jazyce
The complexation chemistry of the stannylene Sn{N[Si(CH3)(3)](2)}(2), first reported by Lappert in the 1970s, was investigated by Sn-119 NMR chemical shift measurements. To this end, experimental NMR data and theoretical density functional theory (DFT) calculations were combined to get an insight into the interaction between the stannylene and various solvent molecules with sigma- and/or pi-coordinating power. Small variations in the measured Sn-119 chemical shifts revealed a donor-acceptor interactionwith the solvent molecules. In comparison to the noncoordinating solvent cyclohexane taken as a reference, a weak coordination was observed with aromatic solvent molecules (benzene and toluene) and a much stronger coordination with the sigma-donors THF and pyridine. Pyridine was confirmed to be the strongest donor, as evidenced by its large upfield chemical shift Delta delta(Sn-119) of 635 ppm. The experimental chemical shifts were reproduced by DFT (NMR) calculations, demonstrating simi
Název v anglickém jazyce
Combined NMR and DFT Study on the Complexation Behavior of Lappert's Tin(II) Amide
Popis výsledku anglicky
The complexation chemistry of the stannylene Sn{N[Si(CH3)(3)](2)}(2), first reported by Lappert in the 1970s, was investigated by Sn-119 NMR chemical shift measurements. To this end, experimental NMR data and theoretical density functional theory (DFT) calculations were combined to get an insight into the interaction between the stannylene and various solvent molecules with sigma- and/or pi-coordinating power. Small variations in the measured Sn-119 chemical shifts revealed a donor-acceptor interactionwith the solvent molecules. In comparison to the noncoordinating solvent cyclohexane taken as a reference, a weak coordination was observed with aromatic solvent molecules (benzene and toluene) and a much stronger coordination with the sigma-donors THF and pyridine. Pyridine was confirmed to be the strongest donor, as evidenced by its large upfield chemical shift Delta delta(Sn-119) of 635 ppm. The experimental chemical shifts were reproduced by DFT (NMR) calculations, demonstrating simi
Klasifikace
Druh
J<sub>x</sub> - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
CEP obor
CA - Anorganická chemie
OECD FORD obor
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Návaznosti výsledku
Projekt
<a href="/cs/project/GAP207%2F12%2F0223" target="_blank" >GAP207/12/0223: Hybridní ligandy pro stabilizaci/specifickou aktivaci kovových center v nízkých oxidačních stavech.</a><br>
Návaznosti
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Ostatní
Rok uplatnění
2013
Kód důvěrnosti údajů
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Údaje specifické pro druh výsledku
Název periodika
Organometallics
ISSN
0276-7333
e-ISSN
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Svazek periodika
32
Číslo periodika v rámci svazku
7
Stát vydavatele periodika
US - Spojené státy americké
Počet stran výsledku
14
Strana od-do
2121-2134
Kód UT WoS článku
000317370000012
EID výsledku v databázi Scopus
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