ON THE STRUCTURE AND PHOTODISSOCIATION DYNAMICS OF AR3+

被引:45
作者
BOWERS, MT
PALKE, WE
ROBINS, K
ROEHL, C
WALSH, S
机构
[1] Department of Chemistry, University of California, Santa Barbara
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(91)87146-3
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
New ab initio calculations are reported that indicate Ar3+ is a linear, asymmetric, C(infinity-nu) molecule with equilibrium bond lengths R1 = 2.47 angstrom and R2 = 2.73 angstrom. The potential energy surface is very shallow along the asymmetric stretch coordinate indicating excursions of the least bound argon atom of 0.5 to 0.7 angstrom in the vibrational ground state. These calculations indicate Ar3+ is essentially an Ar2+.Ar cluster and support the interpretation of DeLuca and Johnson on the origin of the UV (300 nm) and Visible (550 nm) photodissociation bands. New data are provided on the photodissociation dynamics as well, and implication of these data on the detailed dynamics discussed.
引用
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页码:235 / 240
页数:6
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