Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F09%3A00333119" target="_blank" >RIV/67985858:_____/09:00333119 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Do the Structural Changes Defined by the Electron Density Topology Necessarily Affect the Picture of the Bonding?

Original language description

The analysis of domain averaged Fermi holes (DAFH) was applied to the elucidation of the nature of the bonding interactions in supported metal carbonyls, where multicenter bonding of the bridging ligands and direct metal-metal bonds are considered as possible alternatives. The main focus is directed on the detailed scrutiny of the possible impact of the changes in the topology of electron density induced by the systematic variation of the geometry of the studied carbonyls on the picture of the bonding provided by the visual description in terms of DAFH analysis. It has been shown that irrespective of the dramatic changes in the topology of electron density exemplified by the existence and/or the lack of direct metal- metal bond path, the DAFH picture of the bonding remains practically unaffected and in all cases consistently suggests that the bonding of the bridging ligands exhibits the typical features of delocalized 3c-2e bonding.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CC - Organic chemistry

OECD FORD branch

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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)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Inorganic Chemistry

ISSN

0020-1669

e-ISSN

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Volume of the periodical

48

Issue of the periodical within the volume

23

Country of publishing house

US - UNITED STATES

Number of pages

8

Pages from-to

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UT code for WoS article

000272037500030

EID of the result in the Scopus database

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