Vibrational predissociation spectroscopy and theory of Ar-tagged, protonated Imidazole (Im) Im1-3H+•Ar clusters

被引：19

作者：

Gerardi, Helen K. ^{[2
]}

Gardenier, George H. ^{[2
]}

Viswanathan, Usha ^{[1
]}

Auerbach, Scott M. ^{[1
]}

Johnson, Mark A. ^{[2
]}

机构：

[1] Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA

[2] Yale Univ, Dept Chem, New Haven, CT 06520 USA

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 501卷 / 4-6期

基金：

美国国家科学基金会;

关键词：

BIOMOLECULAR BUILDING-BLOCKS; IR-SPECTRUM; COMPLEXES; HYDROGEN; DIMER; MOLECULES; MEMBRANES; CATION;

D O I：

10.1016/j.cplett.2010.10.062

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report vibrational predissociation spectra and theoretical analysis of the Ar-tagged cluster ions of imidazole, Im(1-3)H(+)center dot Ar. The frequencies of the external N-H stretches are observed to incrementally blue-shift toward that of neutral imidazole upon addition of the second and third Im molecules, consistent with the calculated behavior of the Im(3)H(+) complex in which the excess charge is symmetrically shared by two internal N-H-N hydrogen bonds. A very strong, symmetrical doublet near 1000 cm(1) is observed for the Im(2)H(+) complex and attributed to the parallel bridging proton displacement based on anharmonic frequency calculations. (C) 2010 Published by Elsevier B.V.

引用

页码：172 / 178

页数：7

共 48 条

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