Gas-phase infrared spectroscopy and multidimensional quantum calculations of the protonated ammonia dimer N2H7+

被引：76

作者：

Asmis, Knut R.

Yang, Yonggang

Santambrogio, Gabriele

Bruemmer, Mathias

Roscioli, J. Robert

McCunn, Laura R.

Johnson, Mark A.

Kuehn, Oliver

机构：

[1] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany

[2] Free Univ Berlin, Inst Med Chem & Biochem, D-14195 Berlin, Germany

[3] Free Univ Berlin, Inst Phys Expt, D-14195 Berlin, Germany

[4] Yale Univ, Sterling Chem Lab, New Haven, CT 06520 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2007年 / 46卷 / 45期

关键词：

hydrogen bonds; IR spectroscopy; messenger atom; photodissociation; quantum dynamics;

D O I：

10.1002/anie.200702607

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) Zero-point energy matters: In strong, low-barrier hydrogen bonds, quantum effects cause a structural symmetrization (see picture). Together with the pronounced anharmonicity of vibrational motion, this situation gives rise to peculiar infrared (IR) spectral signatures in the region below 2000 cm-1. For the shared proton in N2H 7+, the IR spectrum is elucidated by combining two experimental techniques with anharmonic quantum calculations. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：8691 / 8694

页数：4

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