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Influence of bond valence on bond covalency in calcium doped lanthanum chromite
Author(s) -
Wu ZhiJian,
Meng QuigBo,
Zhang SiYuan
Publication year - 1999
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19990170203
Subject(s) - chemistry , valence bond theory , covalent bond , valence (chemistry) , bond order , generalized valence bond , modern valence bond theory , lanthanum , single bond , bond , bond length , bond strength , chemical bond , computational chemistry , crystallography , inorganic chemistry , molecule , organic chemistry , molecular orbital , crystal structure , alkyl , adhesive , finance , layer (electronics) , economics
The influence of bond valence on bond covalence in La l‐x Ca x CrO 3 ( x = 0.0, 0.1, 0.2, 0.3) has been studied by using semi empirical method. This method is the extortion of the dialectic description theory proposed by Phillips, Van Vetches, Levine and Tanaka (PVLT). In the calculation of bond valence, two schemes were adopted. The first is the equal‐valence scheme, and the second is Bond Valence Sums (BVS) scheme. Bath schemes suggest that for the title compound bond covalence be mainly influenced by bond valence, and insensitive to the Ca doping level. Generally speaking, larger bond valences usually result in higher bond covalence's.