ABINITIO CI INVESTIGATION OF THE ELECTRONIC-SPECTRUM OF BF2 .2. INTERPRETATION AND PREDICTION OF FEATURES OF THE 1(2)A(1)-1(2)B(1), 2(2)A(1) ABSORPTION AND EMISSION SYSTEM

被引：13

作者：

PERIC, M ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

机构：

[1] UNIV BELGRADE, INST PHYS CHEM, YU-11001 BELGRADE, YUGOSLAVIA

来源：

MOLECULAR PHYSICS | 1993年 / 78卷 / 04期

关键词：

D O I：

10.1080/00268979300100591

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：

Potential energy surfaces for the 1 2A1, 1 B-2(1), and 2 2A1 electronic states of BF2 and the corresponding electronic transition moment functions obtained from ab initio calculations are employed to calculate the vibronic structure of the u.v. absorption and emission spectra. The results of the calculations are employed to explain available experimental findings; they predict further spectral features not yet accessible by measurements.

引用

页码：877 / 892

页数：16

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