Multicenter bonds, bond valence and bond charge apportionment

Autor:	Mario Giambiagi, Myriam Segre de Giambiagi, Marcelo de Souza Fortes
Rok vydání:	1997
Předmět:	Bond strength Chemistry Condensed Matter Physics Biochemistry Bond order Molecular physics Modern valence bond theory Chemical bond Sextuple bond Physics::Atomic and Molecular Clusters Single bond Physical and Theoretical Chemistry Bond energy Generalized valence bond
Zdroj:	Journal of Molecular Structure: THEOCHEM. 391:141-150
ISSN:	0166-1280
DOI:	10.1016/s0166-1280(96)04815-4
Popis:	In the same way that the valence of an atom issues from the definition of bond index, we show here that the three-center bond index lends itself to the definition of a bond valence. Within the charge of a bond, we show that its self-charge (i.e., the amount of electrons kept by the atoms involved in the bond) is split in such a way that the more electronegative atom tends to hold more electronic charge than the other atom. We give examples of these quantities and discuss the results for different kinds of chemical systems. We also give some results for four-center indices and report six-center indices for hexagonal rings.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a09a382d0f6395de702fecc721fccf99 https://doi.org/10.1016/s0166-1280(96)04815-4 Zobrazit plný text záznamu Full Text from ScienceDirect