INTERPRETATION OF THE ABSORPTION-SPECTRUM OF NA8

被引:58
作者
BONACICKOUTECKY, V
KAPPES, MM
FANTUCCI, P
KOUTECKY, J
机构
[1] NORTHWESTERN UNIV,DEPT CHEM,EVANSTON,IL 60208
[2] UNIV MILAN,CNR,DIPARTIMENTO CHIM INORGAN & MET ORGAN,I-20133 MILAN,ITALY
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(90)87084-5
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 optically allowed transitions for three neutral Na8 structures (Td, D2d and D4d) and their oscillator strength have been determined using the configuration-interaction procedure. The assignment to the observed optical response spectrum exhibiting a very intense transition at 494 nm and fine structure at ≈ 590 and ≈ 730 nm has been made using the calculated spectrum of the Td and related D2d structures. The antiprism form of Na8 yields blue-shifted transitions with respect to the observed ones. The quantum-molecular approach has been compared with the semiclassical Mie-Drude model. © 1990.
引用
收藏
页码:26 / 34
页数:9
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