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

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

<a href="/cs/project/IAA4072403" target="_blank" >IAA4072403: Molekulová struktura z analysy párových hustot a z ní odvozených veličin</a><br>

Návaznosti

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

Rok uplatnění

2005

Kód důvěrnosti údajů

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

Název periodika

Theoretical Chemistry Accounts

ISSN

1432-881X

e-ISSN

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Svazek periodika

114

Číslo periodika v rámci svazku

1-3

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

5

Strana od-do

208-212

Kód UT WoS článku

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EID výsledku v databázi Scopus

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