INFRARED SPECTROSCOPY OF (CH$_3$)$_3$N-H$^+$-(H$_2$O)$_n$ (n $=$ 1-22)

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Abstract

The magic number behavior of H+(H2O)21 has been well known. Futhermore, this magic number is observed even in the mixed clusters H+(H2O)m(NH3)n and H+(H2O)m(MeOH)n (m + n = 21). This means that NH3 or MeOH molecules are compatible with water molecules in the hydrogen bond network of the magic number cluster.\ In the present study, infrared spectroscopy is applied to (CH3)3N-H+-(H2O)n (n = 1-22), and structures of these clusters are determined with help of density functional theory calculations. As a result, it is demonstrated that no magic number is seen in the case of (CH3)3N-H+-(H2O)n. (CH3)3N is not a spectator to the hydrogen bond network of protonated water clusters, and it is largely changes the network structure.

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Author Institution: Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan; Institute of Atomic and Molecular Sciences Academia Sinica, Taipei, Taiwan

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