HF VIBRATIONAL REDSHIFT FOR THE ICOSAHEDRAL AR12HF VAN-DER-WAALS CLUSTER IS THE SAME AS IN AN AR MATRIX - QUANTUM 5-DIMENSIONAL BOUND-STATE CALCULATIONS

被引：39

作者：

LIU, SY

BACIC, Z

MOSKOWITZ, JW

SCHMIDT, KE

机构：

[1] NYU,DEPT CHEM,NEW YORK,NY 10003

[2] ARIZONA STATE UNIV,DEPT PHYS & ASTRON,TEMPE,AZ 85287

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 07期

关键词：

D O I：

10.1063/1.468390

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：

Quantum 5D bound state calculations for the fully solvated Ar12HF cluster, with the Ar atoms frozen at their icosahedral equilibrium geometry, gave the HF vibrational redshift of 42.46 cm(-1). This value is equal to that measured for HF in an Ar matrix, 42.4 cm(-1).

引用

收藏

页码：6359 / 6361

页数：3

相关论文

共 22 条

[1] ACCURATE INTERMOLECULAR POTENTIAL FOR ARGON [J].

AZIZ, RA ;

CHEN, HH .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) :5719-5726

[2] THEORETICAL METHODS FOR ROVIBRATIONAL STATES OF FLOPPY MOLECULES [J].

BACIC, Z ;

LIGHT, JC .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1989, 40 :469-498

[3] PERYLENE RARE-GAS HETEROCLUSTERS .1. ELECTRONIC SPECTROSCOPY [J].

BAHATT, D ;

HEIDENREICH, A ;

BENHORIN, N ;

EVEN, U ;

JORTNER, J .

JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (09) :6290-6299

[4] AR2CL2 AND AR3CL2 - STRUCTURE, BOND-ENERGY, AND DISSOCIATION DYNAMICS [J].

BIELER, CR ;

EVARD, DD ;

JANDA, KC .

JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (19) :7452-7457

[5] VIBRATION-ROTATION SPECTRA OF MONOMERIC HF IN RARE-GAS LATTICES .2. [J].

BOWERS, MT ;

KERLEY, GI ;

FLYGARE, WH .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (09) :3399-&

[6] PULLING, PACKING AND STACKING - STRUCTURAL PROCLIVITIES OF SF6-(RARE GAS)N VANDERWAALS CLUSTERS [J].

CHARTRAND, DJ ;

SHELLEY, JC ;

LEROY, RJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (21) :8310-8328

[7] MONTE-CARLO SIMULATIONS OF STRUCTURAL-PROPERTIES AND INFRARED-SPECTRA OF SF6-(AR)N CLUSTERS [J].

EICHENAUER, D ;

LEROY, RJ .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (05) :2898-2912

[8] MOLECULAR SOLVATION IN ATOMIC CLUSTERS STUDIED BY MEANS OF MOLECULAR-BEAM INFRARED-SPECTROSCOPY [J].

GOYAL, S ;

SCHUTT, DL ;

SCOLES, G .

ACCOUNTS OF CHEMICAL RESEARCH, 1993, 26 (03) :123-130

[9] PERYLENE RARE-GAS HETEROCLUSTERS .2. NUCLEAR-DYNAMICS AND SPECTRAL-LINE SHAPES [J].

HEIDENREICH, A ;

BAHATT, D ;

BENHORIN, N ;

EVEN, U ;

JORTNER, J .

JOURNAL OF CHEMICAL PHYSICS, 1994, 100 (09) :6300-6311

[10] VIBRATIONAL DEPENDENCE OF THE ANISOTROPIC INTERMOLECULAR POTENTIAL OF AR-HF [J].

HUTSON, JM .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6752-6767