FAR-INFRARED VIBRATION-ROTATION-TUNNELING SPECTROSCOPY AND INTERNAL DYNAMICS OF METHANE-WATER - A PROTOTYPICAL HYDROPHOBIC SYSTEM

被引：54

作者：

DORE, L ^{[1
]}

COHEN, RC ^{[1
]}

SCHMUTTENMAER, CA ^{[1
]}

BUSAROW, KL ^{[1
]}

ELROD, MJ ^{[1
]}

LOESER, JG ^{[1
]}

SAYKALLY, RJ ^{[1
]}

机构：

[1] UNIV BOLOGNA,DIPARTIMENTO CHIM G CIAMICIAN,I-40136 BOLOGNA,ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 02期

关键词：

D O I：

10.1063/1.466569

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：

Thirteen vibration-rotation-tunneling (VRT) bands of the CH4-H2O complex have been measured in the range from 18 to 35.5 cm(-1). using tunable far infrared laser spectroscopy. The ground state has an average center of mass separation of 3.70 Angstrom and a stretching force constant of 1.52 N/m, indicating that this complex is more strongly bound than Ar-H2O. The eigenvalue spectrum has been calculated with a variational procedure using a spherical expansion of a site-site ab initio intermolecular potential energy surface [J. Chem. Phys. 93, 7808 (1991)]. The computed eigenvalues exhibit a similar pattern to the observed spectra but are not in quantitative agreement. These observations suggest that both monomers undergo nearly free internal rotation within the complex.

引用

页码：863 / 876

页数：14

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