Peculiarites of Multiple Cr-Cr Bonding. Insights from the Analysis of Domain Averaged Fermi Holes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F09%3A00327915" target="_blank" >RIV/67985858:_____/09:00327915 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Peculiarites of Multiple Cr-Cr Bonding. Insights from the Analysis of Domain Averaged Fermi Holes
Original language description
The recently proposed methodology known as the analysis of domain averaged Fermi holes (DAFH) was applied to reveal the nature and the peculiarity of metal-metal bonding interactions in two recently reported complexes with ultra-short, presumably quintuple Cr-Cr bond. The results of the analysis straightforwardly confirm the considerable reduction of Cr-Cr bond order resulting from the depletion of electron density from one of the electron pairs involved in metal-metal bonding. Due to this depletion, the Cr-Cr bond can be best classified as the effective quadruple bond with the contribution of another weak component corresponding to anti-ferromagnetic coupling of electrons in one of available electron pairs.
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
CC - Organic chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA203%2F09%2F0118" target="_blank" >GA203/09/0118: Modern theoretical tools for the analysis of chemical bonding</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2009
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
113
Issue of the periodical within the volume
29
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
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UT code for WoS article
000268139400032
EID of the result in the Scopus database
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