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

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 170卷 / 01期

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

页码：26 / 34

页数：9

共 33 条

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