期刊
JOURNAL OF CHEMICAL PHYSICS
卷 112, 期 6, 页码 2790-2797出版社
AMER INST PHYSICS
DOI: 10.1063/1.480853
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We have computed all the electronic states of ClO arising from the Cl(P-2) + O(P-3) dissociation limit and several of those connected with Cl(P-2) + O(D-1). Only two excited states have attractive potentials, A (2)Pi and 1 (4)Sigma(-). The A (2)Pi state undergoes a well known predissociation, because several as yet unknown potential curves cross the A (2)Pi one and are coupled to it by nonadiabatic and/or spin-orbit interactions. The calculation of the interaction matrix elements allows to explain the predissociation of A (2)Pi, due to transitions to the 3 (2)Pi, 1(2)Delta, 2 (4)Sigma(-) and other less important states, all leading to the Cl(P-2) + O(P-3) dissociation. (C) 2000 American Institute of Physics. [S0021-9606(00)30906-0].
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