POLARIZABILITIES OF TRIPLY BONDED MOLECULES - THE 14-ELECTRON AND 26-ELECTRON SYSTEMS CN-, N-2, HCN, C2H2, C2N2, HC3N AND C4H2

被引：63

作者：

FOWLER, PW ^{[1
]}

DIERCKSEN, GHF ^{[1
]}

机构：

[1] MAX PLANCK INST PHYS & ASTROPHYS,INST ASTROPHYS,W-8046 GARCHING,GERMANY

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 167卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(90)85079-R

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：

Dipole moments and polarisabilities are calculated by correlated methods for a series of linear molecules containing NN, CN and CC triple bonds. A compact polarised basis gives near-Hartree-Fock anisotropic polarisabilities with largest component along the molecular axis and roughly additive behaviour with increasing chain length. Correlation corrections to the polarisability are insignificant for these systems. © 1990.

引用

页码：105 / 110

页数：6