Number of the records: 1
Chemical Bonding in Solids. On the Generalization of the Concept of Bond Order and Valence for Infinite Periodical Structures
- 1.
SYSNO ASEP 0028766 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Chemical Bonding in Solids. On the Generalization of the Concept of Bond Order and Valence for Infinite Periodical Structures Title Chemická vazba v pevných látkách. O zobecnění pojmu řádu vazby a valence pro nekonečné periodické struktury Author(s) Ponec, Robert (UCHP-M) RID, ORCID, SAI Source Title Theoretical Chemistry Accounts - ISSN 1432-881X
Roč. 114, 1-3 (2005), s. 208-212Number of pages 5 s. Language eng - English Country DE - Germany Keywords bonding in solids ; bond order ; valence Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA4072403 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z4072921 - UCHP-M Annotation 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. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2006
Number of the records: 1