The argon-diacetylene complex: An example of distributed interactions and transferable potentials

被引：9

作者：

Bemish, RJ ^{[1
]}

Miller, RE ^{[1
]}

Yang, X ^{[1
]}

Scoles, G ^{[1
]}

机构：

[1] PRINCETON UNIV,DEPT CHEM,PRINCETON,NJ 08544

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 105卷 / 23期

关键词：

HIGH-RESOLUTION SPECTROSCOPY; HYDROGEN-FLUORIDE DIMER; INTERMOLECULAR FORCES; VIBRATIONAL PREDISSOCIATION; AR-HCL; STATE; MOLECULE; SPECTRUM; AR-C2H2;

D O I：

10.1063/1.472961

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 first spectroscopic study of the argon-diacetylene complex is reported here. The rotationally resolved near infrared spectrum has been analyzed in terms of a conventional asymmetric rotor Hamiltonian, yielding a set of ground and vibrationally excited state rotational constants consistent with a ''T-shaped'' geometry, similar to that of Ar-C2H2. Using distributed potential parameters determined previously for the Ar-C2H2 system we have developed an empirical potential for Ar-C4H2. A ground state calculation using this potential and the collocation method gives a vibrationally averaged structure in good agreement with experiment. A tentative assignment is also made for the band origins of the Ar-2, Ar-3-diacetylene complexes. (C) 1996 American Institute of Physics.

引用

页码：10171 / 10177

页数：7

共 31 条

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Alexander Meena, Interview by Diane Bilyak

[2]

Armitage J.B., 1951, J. Chem. Soc, V44

[3] THE AR-C2H2 INTERMOLECULAR POTENTIAL FROM HIGH-RESOLUTION SPECTROSCOPY AND AB-INITIO THEORY - A CASE FOR MULTICENTER INTERACTIONS [J].