Can aromatic pi-clouds complex divalent germanium and tin compounds? A DFT study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F12%3A39895769" target="_blank" >RIV/00216275:25310/12:39895769 - isvavai.cz</a>
Result on the web
<a href="http://pubs.acs.org/doi/abs/10.1021/om100903h" target="_blank" >http://pubs.acs.org/doi/abs/10.1021/om100903h</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/om100903h" target="_blank" >10.1021/om100903h</a>

Result language
angličtina
Original language name
Can aromatic pi-clouds complex divalent germanium and tin compounds? A DFT study
Original language description
The properties of various electron-deficient germylenes and stannylenes are investigated using density functional theory (DFT). The dominant electrophilic character of these divalent group IV compounds is demonstrated by computed DFT-based reactivity descriptors. Next, the interaction of selected model dihalogenated germylenes and stannylenes (GeX2 and SnX2, with X = F, Cl, Br, I) with a series of potential aromatic pi-donors is studied; computed classical donor acceptor sigma-interactions with strong Lewis bases serve as a reference. In addition, natural bond orbital analyses were performed in order to study the interactions at the orbital level, consistently indicating that the most important interaction for the pi-complexations is the overlap of theformal empty p-orbital on the germanium or the tin atom and the pi-orbitals of the aromatic rings. Additional information is obtained from the extent of charge transfer from the pi-donors toward the divalent tin and germanium compounds.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Project
<a href="/en/project/GA104%2F09%2F0829" target="_blank" >GA104/09/0829: Use of Carbon Dioxide as C1 Building Block for Organic Compounds Catalyzed by Metal Containing Compounds</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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