POTENTIAL-ENERGY CURVES OF ARC+

被引:19
作者
HILLIER, IH
GUEST, MF
DING, A
KARLAU, J
WEISE, J
机构
[1] DARESBURY LAB,SCI RES COUNCIL,WARRINGTON WA4 4AD,ENGLAND
[2] KERNFORSCH GMBH,HAHN MEITNER INST,D-1000 BERLIN 39,FED REP GER
关键词
D O I
10.1063/1.437518
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
Potential energy curves for different states of the molecule ArC + have been determined by experimental and theoretical methods. Elastic scattering cross sections obtained from the scattering of C +(2P) and C+(4P) on Ar were used to determine the bound ground state X2Π with the use of an inversion method, and to discuss qualitatively higher excited states. CI calculations performed for several doublet and quartet states dissociating into C +(2P)+Ar(1S), C+( 4P)+Ar(1S), and C(3P)+Ar+( 2P) are in good agreement with the experimental findings. The nature of the bonding is discussed and spectroscopic constants for the bound potential curves are given. © 1979 American Institute of Physics.
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页码:864 / 869
页数:6
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