Size-selected infrared predissociation spectroscopy of neutral and cationic formamide-water clusters: Stepwise growth of hydrated structures and intracluster hydrogen transfer induced by vacuum-ultraviolet photoionization

Daichi Sakai, Yoshiyuki Matsuda, Masaki Hachiya, Mayumi Mori, Asuka Fujii, Naohiko Mikami

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)

Abstract

Vibrational spectroscopy of size-selected formamide-water clusters, FA-(H2O)n, n = 1 -4, prepared in a supersonic jet is performed with vacuum-ultraviolet-ionization detected-infrared predissociation spectroscopy (VUV-ID-IRPDS). The cluster structures are determined through comparisons of the observed IR spectra with theoretical calculations at the MP2/6-31++G** level. The FA-(H2O)n, n = 1-3, clusters have ringtype structures, where water molecules act as both single donor and single acceptor in the hydrogen-bond network between the amino and carbonyl groups of FA. For FA-(H2O)4, on the other hand, the absence of the free NH stretching vibration indicates formation of a double ring type structure, where two NH bonds of the amino group and the carbonyl oxygen of FA form hydrogen bonds with water molecules. An infrared spectrum of the formamide-water cluster cation, [FA-H2O]+, is also observed with infrared predissociation spectroscopy of vacuum-ultraviolet-pumped ion (IRPDS-VUV-PI). No band is observed for the free OH stretches of neutral water. This shows [FA-H2O]+ has such a structure that one of the hydrogen atoms of the water moiety is transferred to the carbonyl oxygen of FA+.

Original languageEnglish
Pages (from-to)6840-6849
Number of pages10
JournalJournal of Physical Chemistry A
Volume112
Issue number30
DOIs
Publication statusPublished - 2008 Jul 31

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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