POTENTIAL-ENERGY SURFACES FOR THE INTERACTION OF CH(X (2)PI,B (2)SIGMA(-)) WITH AR AND AN ASSIGNMENT OF THE STRETCH-BEND LEVELS OF THE ARCH(B) VAN-DER-WAALS MOLECULE

被引:55
作者
ALEXANDER, MH
GREGURICK, S
DAGDIGIAN, PJ
LEMIRE, GW
MCQUAID, MJ
SAUSA, RC
机构
[1] JOHNS HOPKINS UNIV,DEPT CHEM,BALTIMORE,MD 21218
[2] USA,BALLIST RES LAB,AMSRL WT PC,ABERDEEN PROVING GROUND,MD 21005
关键词
D O I
10.1063/1.467442
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
New multireference, configuration-interaction potential energy surfaces are reported for the interaction of Ar with the CH radical in its ground (X (2) Pi) and second excited (B (2) Sigma(-)) electronic states. These potential energy surfaces are then used in an adiabatic analysis of the rovibronic levels of the ArCH(X) and ArCH(B) van der Waals complexes. A qualitative discussion of the expected features in the B <-- X electronic spectrum of ArCH is presented, and these are compared with the experimental spectrum reported earlier by Lemire et al. [J. Chem. Phys. 99, 91 (1993)].
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页码:4547 / 4560
页数:14
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