title: 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.
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 ring-type 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(+).
authors.affiliation: Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki-Aoba, Aoba-ku, Sendai 980-8578, Japan.
authors.forename: Daichi
authors.initials: D
authors.lastname: Sakai
authors.forename: Yoshiyuki
authors.initials: Y
authors.lastname: Matsuda
authors.forename: Masaki
authors.initials: M
authors.lastname: Hachiya
authors.forename: Mayumi
authors.initials: M
authors.lastname: Mori
authors.forename: Asuka
authors.initials: A
authors.lastname: Fujii
authors.forename: Naohiko
authors.initials: N
authors.lastname: Mikami