Photoelectron imaging and theoretical study on nascent hydrogen bond network in microsolvated clusters of Au- (CH3OH)n (n = 1-5)
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Zhengbo Qin1, Ran Cong, Hua Xie
1State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences , Dalian 116023, China.
Abstract:
We first demonstrate the photoelectron spectroscopic evidence of the transition of two competitive solvation patterns in the Au(-)(CH3OH)n (n = 1-5) clusters. Quantum chemical calculations have been carried out to characterize the geometric structures, energy properties and hydrogen-bonded patterns, and to aid the spectral assignment. It has been found that the nonconventional hydrogen bonds dominate the small clusters (n = 1 and 2), whereas the conventional hydrogen bonds play more and more important role from n = 2 to n = 5. This finding provides concrete hydrogen bond network evolution of Au(-) surrounded by methanol molecules.
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