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• W2088831336 abstract "A theory is described for calculating photodissociation spectra for polyatomic molecules larger than triatomics. The general method combines the vibrational close-coupling, rotational infinite-order-sudden approximation with the technique of Kulander and Light for calculating photodissociation integrals. The three-dimensional theory enables several vibrational states in the polyatomic photofragments to be coupled together and also allows for initial vibrational and rotational excitation in the parent molecule. The method has been applied to the CF3I→CF3+I (2P1/2) photodissociation process for the radiation frequency range 32 000–42 000 cm−1. Cross sections are reported for CF3I in the ground vibrational state, and also with C–I stretching and bending modes excited initially. Considerable vibrational excitation in the CF3 photofragments is obtained in the calculations at higher frequencies, a finding that is in agreement with experimental measurements. There is a marked preferential population of CF3 combination bands involving simultaneous excitation of both the v1 and v2 vibrational levels." @default.
• W2088831336 created "2016-06-24" @default.
• W2088831336 creator A5001219064 @default.
• W2088831336 date "1986-04-15" @default.
• W2088831336 modified "2023-10-17" @default.
• W2088831336 title "A theory for the photodissociation of polyatomic molecules, with application to CF₃I" @default.
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• W2088831336 doi "https://doi.org/10.1063/1.450051" @default.
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