Cooperative influence of H2 and C2H4 molecules on theb-a anda-X transitions in the O2 molecule in a ternary complex |
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| Authors: | B. F. Minaev N. M. Ivanova I. V. Fedulova G. I. Kobzev Z. M. Muldakhmetov |
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| Affiliation: | (1) Cherkassk Engineering-Technological Institute, Ukraine;(2) Institute of Organic Synthesis and Coal Chemistry, National Academy of Sciences of the Republic of Kazakhstan, 1 40 Let Kazakhstana Str., 470061 Karaganda, Kazakhstan |
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| Abstract: | Moments of the b-a and a-X transitions induced in an oxygen molecule by collision in the O2 + C2H4 + H2 complex are calculated by the semiempirical MINDO/3 method with allowance for the spin-orbital interaction. On the basis of two collisional models it is shown that the cooperative influence of C2H4 and H2 molecules can be both enhancing and weakening as compared with their individual influence. Here, the relative location of the oxygen molecule and its surroundings plays an important role. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 67, No. 4, pp. 453–456, July–August, 2000. |
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| Keywords: | oxygen transition moment collision complex quantum-chemical calculation |
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