Infrared predissociation of ternary cluster cations: the solvent effects on the branching ratio

文献情報

出版日 2012-01-23

DOI 10.1039/C2CP23924H

インパクトファクター 3.676

著者

Md. Alauddin, Jae Kyu Song, Joong Chul Choe, Seung Min Park

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要旨

Infrared (IR) predissociation of hydrogen-bonded ternary cluster ions such as aniline–water–ethanol (AWE+), aniline–water–isopropanol (AWP+), aniline–methanol–ethanol (AME+), aniline–water–pyrrole (AWPy+), and aniline–water–benzene (AWB+) was examined in the region of 2700–4000 cm−1 to explore the key factors which determine the branching ratios in the concurrent unimolecular dissociation. The smaller solvent molecule was predominantly ejected when the binding energies of the two were not too different. On the other hand, when they were far off, the binding energy also acted significantly on the branching ratio. Besides, mode-selective IR predissociation was observed, while the selectivity was not quite distinct. The IR predissociation of ternary cluster ions bound viahydrogen bonding is considered to occur on a time scale much faster than intramolecular vibrational energy redistribution, which was proved by a statistical transition state theory.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Infrared predissociation of ternary cluster cations: the solvent effects on the branching ratio

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