Open AccessTHE CHARGE TRANSFER AND SPLITTING OF 4d ORBITALS OF Mo ATOM IN CHEVREL PHASE MxMo6S8 COMPOUNDS
Author(s) -
Guozhen Wu
Publication year - 1981
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.30.172
Subject(s) - atomic orbital , atom (system on chip) , cluster (spacecraft) , atomic physics , charge (physics) , electron , phase (matter) , physics , transfer (computing) , materials science , quantum mechanics , parallel computing , computer science , programming language , embedded system
In this paper, the ligand field method is applied to derive an analytic expression relating the charge transfer between M and Mo6S8 cluster and the splitting of the 4d orbitals of Mo atom for Chevrel phase MzMo6S8 compounds. From the reflection spectrum of PbMo6S8 the charge transfer from Mo6S8 cluster to Pb atom is calculated to be 1.18 instead of 2 electrons being transferred from Pb atom to Mo6S8 cluster as generally recognized in previous literatures. The number of 4d electrons on Mo6 is therefore 18.8.