4.6 Article

Transient resonance Raman and density functional theory investigation of CH3I-I produced from ultraviolet photolysis of iodomethane in the solution phase

Journal

CHEMICAL PHYSICS LETTERS
Volume 349, Issue 3-4, Pages 291-298

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ELSEVIER
DOI: 10.1016/S0009-2614(01)01197-6

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Transient resonance Raman spectra are reported for the CH3I-I species formed after ultraviolet photolysis of iodomethane in cyclohexane and acetonitrile solvents. The spectra display most of their Raman intensity in the overtone progression of the nominal I-I stretch mode and the C-I stretch fundamental. Density functional theory calculations were done for the CH3I-I species to help better understand its properties. We compare our results for the CH3I-I species to those previously reported for CH2I-I and find that the C-I-I geometry significantly influences the perturbation of the C-I bond and the chemical reactivity of the complex species. (C) 2001 Elsevier Science B.V. All rights reserved.

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