SIZE DEPENDENCE OF HF VIBRATIONAL FREQUENCY-SHIFT FOR ARNHF (N=1-14) VAN-DER-WAALS CLUSTERS VIA QUANTUM 5-DIMENSIONAL BOUND-STATE CALCULATIONS

被引:50
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
关键词
D O I
10.1063/1.468007
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
HF vibrational frequency shifts for ArnHF (n=1-14) clusters have been determined for the first time using quantum 5D bound state calculations. Our results for n=1-4 clusters are in very good agreement with the available experimental data. The size dependence of the redshift is predicted to be very nonmonotonic. © 1994 American Institute of Physics.
引用
收藏
页码:10181 / 10184
页数:4
相关论文
共 18 条
[1]  
ANDERSON DT, 1993, THESIS DARTMOUTH COL
[2]   ACCURATE INTERMOLECULAR POTENTIAL FOR ARGON [J].
AZIZ, RA ;
CHEN, HH .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (12) :5719-5726
[3]   THEORETICAL METHODS FOR ROVIBRATIONAL STATES OF FLOPPY MOLECULES [J].
BACIC, Z ;
LIGHT, JC .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1989, 40 :469-498
[4]   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-&
[5]   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
[6]   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
[7]  
ERNESTI A, UNPUB PHYS REV A
[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]   VIBRATIONAL DEPENDENCE OF THE ANISOTROPIC INTERMOLECULAR POTENTIAL OF AR-HF [J].
HUTSON, JM .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6752-6767
[10]   INFRARED SIGNATURES FOR ISOMERIZATION AND MELTING IN INHOMOGENEOUS VANDERWAALS CLUSTERS [J].
KMETIC, MA ;
LEROY, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (09) :6271-6283