HCL-RARE GAS VANDERWAALS DIMERS TRAPPED IN RARE-GAS MATRIX - INTERPRETATION OF THE VIBRATION-ORIENTATION SPECTRUM

被引:17
作者
LAROUI, B
DAMAK, O
MAILLARD, O
GIRARDET, C
机构
[1] UNIV SFAX,DEPT PHYS,SFAX,TUNISIA
[2] UNIV PARIS 07,DEPT PHYS,F-75252 PARIS 05,FRANCE
[3] UNIV FRANCHE COMTE,PHYS MOLEC LAB,CNRS,URA 772,F-25030 BESANCON,FRANCE
关键词
D O I
10.1063/1.463075
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
Two semiempirical potentials are used to interpret the vibration-orientation spectrum of the hydrogen chloride-RG* dimers trapped in RG matrices (RG*, RG = Ar, Kr, Xe). The geometries of these dimers are calculated by including matrix relaxation and compared to those observed in the gas phase. It is shown that dimers in matrices can have radial and angular configurations very different from those reported in the gas phase, which have been used to fit potential parameters. The main features of the experimental spectrum of the trapped dimers are satisfactorily interpreted on the basis of one or the other potential. But none can lead to a universal interpretation of the infrared spectra of all the dimers. Arguments are developed on the main causes of discrepancies.
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页码:2359 / 2371
页数:13
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