Electric and magnetic properties of LiH X1Σ+ from analysis of pure rotational and vibration-rotational spectra

被引:15
作者
Molski, M [1 ]
机构
[1] Adam Mickiewicz Univ, Fac Chem, Dept Theoret Chem, PL-60780 Poznan, Poland
关键词
D O I
10.1016/S0009-2614(99)00453-4
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
Pure rotational and vibration-rotational transitions (1530 lines) of LiH X (1)Sigma(+) in four isotopic variants are analyzed with a deformationally self-consistent procedure in an analytic version. Using a relation between nonadiabatic rotational effects and electric and magnetic properties of the molecule, we estimate a permanent dipole moment of mu(0) = 1.933(76)x 10(-29) Cm. electric polarity +LiH- and rotational g-factor g(0) = - 0.253(14) for (LiH)-Li-7-H-2 and g(0) = - 0.618(28) for (LiH)-Li-7-H-1. They conform acceptably with magnitudes from published experiments on Stark and Zeeman effects and from quantum-chemical calculations of electronic structure. (C) 1999 Elsevier Science B.V. All rights reserved.
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页码:88 / 94
页数:7
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