TY - JOUR
T1 - Infrared spectroscopy of large protonated water clusters H +(H2O)20-50 cooled by inert gas attachment
AU - Mizuse, Kenta
AU - Fujii, Asuka
N1 - Funding Information:
This study was supported by the Grant-in-Aid for Scientific Research (Project No. 19056001in the priority area 477 from MEXT Japan, and Nos. 23850018 and 2235001 from JSPS). K.M. was supported by JSPS Research Fellowships for Young Scientists.
PY - 2013
Y1 - 2013
N2 - We report infrared spectra of protonated water clusters H +(H2O)n (n = 20-50) cooled by H2 tagging. IR spectra show sharper features, validating the cooling effect of the H2 attachment even for the large clusters. Furthermore, the H 2-mediated spectrum has indicated the origin of the first antimagic number (n = 22), which is a dangling water molecule on the cluster surface [K. Mizuse, A. Fujii, J. Phys. Chem. Lett. 2 (2011) 2130]. On the other hand, for the second magic (n = 28) and antimagic (n = 29) number clusters, no apparent difference is observed by the H2 tagging. IR spectra of Ar-tagged H+(H2O)20-22 are also measured. These spectra also show sharper features, however, no signature for the dangling water molecule is seen in n = 22. This result implies there are multiple isomer types in the n = 22 cluster and the observable type might vary with the choice of the inert gas for tagging.
AB - We report infrared spectra of protonated water clusters H +(H2O)n (n = 20-50) cooled by H2 tagging. IR spectra show sharper features, validating the cooling effect of the H2 attachment even for the large clusters. Furthermore, the H 2-mediated spectrum has indicated the origin of the first antimagic number (n = 22), which is a dangling water molecule on the cluster surface [K. Mizuse, A. Fujii, J. Phys. Chem. Lett. 2 (2011) 2130]. On the other hand, for the second magic (n = 28) and antimagic (n = 29) number clusters, no apparent difference is observed by the H2 tagging. IR spectra of Ar-tagged H+(H2O)20-22 are also measured. These spectra also show sharper features, however, no signature for the dangling water molecule is seen in n = 22. This result implies there are multiple isomer types in the n = 22 cluster and the observable type might vary with the choice of the inert gas for tagging.
KW - Hydrogen bond network
KW - Internal energy dependence
KW - Photodissociation spectroscopy
KW - Thermal dynamics
KW - Water chemistry
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U2 - 10.1016/j.chemphys.2012.07.012
DO - 10.1016/j.chemphys.2012.07.012
M3 - Article
AN - SCOPUS:84873451107
VL - 419
SP - 2
EP - 7
JO - Chemical Physics
JF - Chemical Physics
SN - 0301-0104
ER -