Chemical Bonding in Solids. On the Generalization of the Concept of Bond Order and Valence for Infinite Periodical Structures

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F05%3A00028766" target="_blank" >RIV/67985858:_____/05:00028766 - 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

Chemical Bonding in Solids. On the Generalization of the Concept of Bond Order and Valence for Infinite Periodical Structures

Original language description

A simple model allowing the description and the visualization of the bonding in solids in terms of classical chemical concepts of bond order and valence was proposed. The model is based on the straightforward generalization of the Wiberg indices, which are known to mimic the pattern of bonding interactions in ordinary isolated molecules, to infinite periodical structures. The picture of bonding based on the applications of this model to idealized 1D, 2D and 3D lattices is remarkably reminiscent of the model proposed a long time ago by Pauling to describe the nature of the metallic bonding. It implies that in addition to small fraction of valence electrons involved in the covalent bonding with the nearest neighbors, the majority have the character of ?mobile? electrons, which are responsible for the build-up of metallic properties in the studied solids. Dedicated to 65th anniversary of professor K.Jug.

Czech name

Chemická vazba v pevných látkách. O zobecnění pojmu řádu vazby a valence pro nekonečné periodické struktury

Czech description

Byl navržen nový jednoduchý model, umožňující popis a visualizaci vazebného uspořádání v pevních látkách v termínech klasických chemických pojmů řádu vazby a vaznosti. Aplikace tohoto modelu na popis vazebného uspořádání v idealizovaných 1D, 2D a 3D krystalických strukturách objasňuje povahu tzv. kovové vazby která je spojena s existencí mobilních elektronů odpovědných za elektrickou vodivost.

Type

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

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

<a href="/en/project/IAA4072403" target="_blank" >IAA4072403: Chemical structures from the analysis of pair density and related quantities</a><br>

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2005

Confidentiality

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

Name of the periodical

Theoretical Chemistry Accounts

ISSN

1432-881X

e-ISSN

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Volume of the periodical

114

Issue of the periodical within the volume

1-3

Country of publishing house

DE - GERMANY

Number of pages

5

Pages from-to

208-212

UT code for WoS article

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EID of the result in the Scopus database

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