Vibrational Spectroscopy of Bisulfate/Sulfuric Acid/Water Clusters: Structure, Stability, and Infrared Multiple-Photon Dissociation Intensities

被引：59

作者：

Yacovitch, Tara I. ^{[1
]}

Heine, Nadja ^{[2
]}

Brieger, Claudia ^{[2
]}

Wende, Torsten ^{[2
]}

Hock, Christian ^{[1
]}

Neumark, Daniel M. ^{[1
,3
]}

Asmis, Knut R. ^{[2
]}

机构：

[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

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

[3] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2013年 / 117卷 / 32期

基金：

加拿大自然科学与工程研究理事会;

关键词：

NEGATIVE-ION COMPOSITION; SULFURIC-ACID; ATMOSPHERIC IONS; PREDISSOCIATION SPECTRA; H2SO4; WATER; NUCLEATION; COMPLEXES; CONSTANTS; ENERGIES;

D O I：

10.1021/jp400154v

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：

The structure and stability of mass-selected bisulfate, sulfuric acid, and water cluster anions, HSO4-(H2SO4)(m)(H2O)(n), are studied by infrared photodissociation spectroscopy aided by electronic structure calculations. The triply hydrogen-bound HSO4-(H2SO4) configuration appears as a recurring motif in the bare clusters, while incorporation of water disrupts this stable motif for clusters with m > 1. Infrared-active vibrations predominantly involving distortions of the hydrogen-bound network are notably missing from the infrared multiple-photon dissociation (IRMPD) spectra of these ions but are fully recovered by messenger-tagging the clusters with H-2. A simple model is used to explain the observed "IRMPD transparency".

引用

页码：7081 / 7090

页数：10

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