A LIGAND-FIELD APPROACH FOR THE LOW-LYING STATES OF CA, SR AND BA MONOHALIDES

被引：62

作者：

ALLOUCHE, AR

WANNOUS, G

AUBERTFRECON, M

机构：

[1] Laboratoire de Spectrométrie Ionique et Moléculaire (associé au CNRS, URA 171), Université Lyon I, 69622 Villeurbanne Cedex, Bat. 205, 43 Boulevard du

来源：

CHEMICAL PHYSICS | 1993年 / 170卷 / 01期

关键词：

D O I：

10.1016/0301-0104(93)80087-P

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The ligand field approach proposed by Rice, Martin and Field (J. Chem. Phys. 82 (1985) 5023) to describe the low-lying states of calcium monohalides has been extended to strontium and barium monohalides. Molecular wavefunctions are described in terms of model potential functions for alkaline earth ions. Transition energies, permanent and transition dipole moments have been evaluated. The three lowest excited states of each molecule are seen to be correctly represented in this way, the better agreement with experiment being displayed for barium compounds.

引用

页码：11 / 22

页数：12

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