VIBRONIC INTENSITIES IN THE ELECTRONIC-SPECTRA OF TRANSITION-METAL COMPLEX-IONS .10. 2ND-ORDER HERZBERG-TELLER CONTRIBUTIONS TO THE VIBRONIC INTENSITY OF THE 4A2G REVERSIBLE 4T2G TRANSITION IN MNF62-

被引：13

作者：

ACEVEDO, R ^{[1
]}

VASQUEZ, SO ^{[1
]}

FLINT, CD ^{[1
]}

机构：

[1] UNIV LONDON,BIRKBECK COLL,DEPT CHEM,LASER LAB,LONDON WC1H 0PP,ENGLAND

来源：

MOLECULAR PHYSICS | 1991年 / 74卷 / 04期

关键词：

D O I：

10.1080/00268979100102631

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：

A method to estimate the contribution to the vibronic intensity in electronic transitions of inorganic complex ions due to second order terms in the Herzberg-Teller expansion of vibronic wavefunctions is developed and applied to the 4A2g <--> 4T2g transition of the MnF6(2-) ion. Both crystal field and ligand polarization contributions are derived, the crystal field term being evaluated in the single intermediate p state approximation. Contributions to the intensity of the nine second order terms are evaluated for several force fields and compared with recent experimental data. Although there are some difficulties in this comparison. it provides some support both for the model and the attribution of the intensity mechanism.

引用

页码：853 / 860

页数：8

共 11 条

[1] VIBRONIC INTENSITIES IN THE ELECTRONIC-SPECTRA OF TRANSITION-METAL IONS .2. LIGAND POLARIZATION CALCULATIONS FOR THE 2EG REVERSIBLE 4A2G TRANSITIONS OF MNF62- [J].