A MOLECULAR ORBITAL STUDY OF A DIMER MODEL FOR HYDRATED AND AMMONIATED ELECTRON

被引：12

作者：

MCALOON, BJ

WEBSTER, BC

机构：

[1] Chemistry Department, The University of Glasgow

来源：

THEORETICA CHIMICA ACTA | 1969年 / 15卷 / 05期

关键词：

D O I：

10.1007/BF00528627

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：

Some dimer models are proposed for the hydrated and ammoniated electron. These combine features of both the cavity and polaron formulations. By way of an extended Hückel calculation the size of the cavities in water and ammonia is ascertained. A population analysis shows that whereas in water the charge spreads out almost uniformly over the system, in ammonia the electron remains within the cavity. © 1969 Springer-Verlag.

引用

页码：385 / &

共 12 条

[1] ABSORPTION SPECTRA IN IRRADIATED WATER AND SOME SOLUTIONS - ABSORPTION SPECTRA OF HYDRATED ELECTRON [J].