TY - JOUR
T1 - Structures and reactions of methanol molecules on cobalt cluster ions studied by infrared photodissociation spectroscopy
AU - Hirabayashi, Shinichi
AU - Okawa, Ryuji
AU - Ichihashi, Masahiko
AU - Kawazoe, Yoshiyuki
AU - Kondow, Tamotsu
N1 - Funding Information:
The calculations were performed by using Hitachi SR8000-G1/64 of the Supercomputing Center of Institute for Materials Research, Tohoku University, and by the use of NEC SX-7 and TX-7 of the Research Center for Computational Science, Okazaki Research Facilities, National Institutes of Natural Sciences. This work was supported by the Special Cluster Research Project of Genesis Research Institute, Inc.
PY - 2009
Y1 - 2009
N2 - Structures of methanol molecules chemisorbed on cobalt cluster ions, Con + (n=2-6), were investigated by infrared photodissociation (IR-PD) spectroscopy in the wavenumber range of 3400-4000 cm-1. All the IR-PD spectra measured exhibit an intense peak in the region of the OH stretching vibration. In the IR-PD spectra of Co2+ (CH3OH)2,3 and Co3+ (CH 3OH)3, weak peaks were observed additionally in the vicinity of 3000 cm-1, being assignable to the CH stretching vibration. The comparison of the experimental results with the calculated ones leads us to conclude that (1) molecularly chemisorbed species, Co n+ (CH3OH)m (m=1-3), and dissociatively chemisorbed species, Con+ (CH 3OH)m-1 (CH3) (OH), are dominant and (2) the methanol dehydrogenation proceeds via an intermediate, Con + (CH3) (OH).
AB - Structures of methanol molecules chemisorbed on cobalt cluster ions, Con + (n=2-6), were investigated by infrared photodissociation (IR-PD) spectroscopy in the wavenumber range of 3400-4000 cm-1. All the IR-PD spectra measured exhibit an intense peak in the region of the OH stretching vibration. In the IR-PD spectra of Co2+ (CH3OH)2,3 and Co3+ (CH 3OH)3, weak peaks were observed additionally in the vicinity of 3000 cm-1, being assignable to the CH stretching vibration. The comparison of the experimental results with the calculated ones leads us to conclude that (1) molecularly chemisorbed species, Co n+ (CH3OH)m (m=1-3), and dissociatively chemisorbed species, Con+ (CH 3OH)m-1 (CH3) (OH), are dominant and (2) the methanol dehydrogenation proceeds via an intermediate, Con + (CH3) (OH).
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U2 - 10.1063/1.3121503
DO - 10.1063/1.3121503
M3 - Article
AN - SCOPUS:65549107768
SN - 0021-9606
VL - 130
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 16
M1 - 164304
ER -