On the Nature of C-Li Bonding in Lithiated Hydrocarbons and Lithiocarbons.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F02%3A27013123" target="_blank" >RIV/67985858:_____/02:27013123 - isvavai.cz</a>
Alternative codes found
RIV/67985858:_____/02:27020050
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
On the Nature of C-Li Bonding in Lithiated Hydrocarbons and Lithiocarbons.
Original language description
The nature of C-Li bonding in CH3Li and CLi6 was reconsidered using two recently proposed new methodologies, namely the AIM generalized population analysis and Fermi hole analysis. The calculations were performed at HF level of the theory using 6-311G**basis sets. The main issue was the realistic estimation of the polarity of C-Li bonds. The analysis confirms that C-Li bonds in CH3Li are predominantly ionic but some slight modifications of the contemporary picture of bonding in CLi6 is proposed.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/IAA4072006" target="_blank" >IAA4072006: Electron pairing and chemical bonds</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Physical Chemistry A
ISSN
1089-5639
e-ISSN
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Volume of the periodical
106
Issue of the periodical within the volume
6
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
1019-1025
UT code for WoS article
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EID of the result in the Scopus database
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