Long-range migration of a water molecule to catalyze a tautomerization in photoionization of the hydrated formamide cluster

Satoshi Maeda, Yoshiyuki Matsuda, Shinichi Mizutani, Asuka Fujii, Koichi Ohno

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

The dynamics on the vacuum-ultraviolet one-photon ionization of a formamide?water cluster is investigated by a combination of theoretical reaction-path search and infrared spectroscopic methods. A keto?enol tautomerization of the formamide moiety occurs after photoionization by a catalytic action of the water molecule accompanied with its long-distance migration; the water molecule in the cluster migrates almost one turn around the formamide moiety. During the migration, the water molecule abstracts the proton of CH in the formamide moiety and carries it to the O atom side in the carbonyl group through a "catch and release"-type catalytic action.

Original languageEnglish
Pages (from-to)11896-11899
Number of pages4
JournalJournal of Physical Chemistry A
Volume114
Issue number44
DOIs
Publication statusPublished - 2010 Nov 11

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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