Infrared predissociation spectroscopy of cluster cations of protic molecules, (NH3)n+, n=2-4 and (CH3OH)n+, n=2,3.
Infrared predissociation spectroscopy is carried out for the structure investigation of unprotonated cluster cations of protic molecules such as ammonia and methanol, which are generated through vacuum-ultraviolet one-photon ionization of their jet-cooled neutral clusters. The observed spectral features show that the cluster cations have the proton-transferred type structures, where a pair of a protonated cation and a neutral radical, NH(4) (+)...NH(2) or CH(3)OH(2) (+)...OCH(3), is formed. Theoretical calculations at the MP2 and B3LYP levels support the formation of the proton-transferred type structures for the cluster cations, and indicate that they are formed by proton-transfer following the photoionization of the neutral clusters.
Hachiya
Masaki
M
Department of Chemistry, Graduate School of Science, Tohoku University, Aramaki-Aoba, Aoba-ku, Sendai 980-8578, Japan.
Matsuda
Yoshiyuki
Y
Suhara
Ken-Ichiro
K
Mikami
Naohiko
N
Fujii
Asuka
A