THE HECL2 POTENTIAL - A COMBINED SCATTERING-SPECTROSCOPIC STUDY

被引:60
作者
BENEVENTI, L [1 ]
CASAVECCHIA, P [1 ]
VOLPI, GG [1 ]
BIELER, CR [1 ]
JANDA, KC [1 ]
机构
[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260
关键词
D O I
10.1063/1.464652
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
Total differential scattering angular distribution measurements for He scattering from Cl2 are reported. The scattering data are combined with previous excitation spectroscopy and vibrational predissociation product state distributions for He-Cl2 to determine the potential-energy surfaces for the ground X and excited B electronic states. The potentials are somewhat deeper, D(e) = -38.2 cm-1 for the X state, than previously estimated. The X state potential minimum is for the ''T'' shaped configuration with a R(min) value of 3.55 angstrom. The potentials are quite successful at describing the scattering data, the rotationally resolved spectroscopy of the complex, and the product state distributions for vibrational predissociation. The B state potential underestimates the dependence of the rate of vibrational predissociation on the initial vibrational level.
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页码:178 / 185
页数:8
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