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A novel scheme for probing mode-specific proton transfer in proton-bound homodimers: vibrational predissociation and ab initio study on CH5+·CH4 by Kwang-Yon Kim; Yuan T. Lee; Doo Wan Boo is a scholarly article available to read on EtoBox.

What is A novel scheme for probing mode-specific proton transfer in proton-bound homodimers: vibrational predissociation and ab initio study on CH5+·CH4 about?

A novel experimental scheme for probing mode-specific proton transfer in proton-bound homodimers based on the vibrational predissociation spectroscopy combined with the techniques of mass-selected detection and isotope substitution is described. Its application to CH þ 5 ÁCH 4 suggests that rapid, non-mode specific proton transfer occurs when three C-H stretch modes are excited. To explain the experimental result, the transition state and the minimum energy path (MEP) for proton transfer in CH þ 5 ÁCH 4 are further characterized by ab initio method.

Author

Kwang-Yon Kim; Yuan T. Lee; Doo Wan Boo

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

2003

Language

EN