Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule

Marusu Katada; Asuka Fujii

doi:10.1016/j.cplett.2017.07.028

Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule

Marusu Katada, Asuka Fujii

SCI - Chemistry

Tohoku University

Research output: Contribution to journal › Article › peer-review

4 Citations (Scopus)

Abstract

The hydrogen-bonded structure of the (Benzoic acid)₂-(Water)₁ (BA₂-W₁) cluster was investigated by infrared spectroscopy in the OH stretch region. The stable BA dimer has the cyclic structure with the two hydrogen bonds between the carboxyl groups. The observed infrared spectrum of BA₂-W₁ shows that the water molecule is inserted in between the two carboxylic groups of the cyclic dimer. This means that a single water molecule begins to dissociate the cyclic dimer. This observation can be regarded as the initial step of dissociation of the stable cyclic BA dimer in aqueous solution.

Original language	English
Pages (from-to)	368-372
Number of pages	5
Journal	Chemical Physics Letters
Volume	684
DOIs	https://doi.org/10.1016/j.cplett.2017.07.028
Publication status	Published - 2017

Keywords

Benzoic acid
Cluster
Hydration
Infrared spectroscopy

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10.1016/j.cplett.2017.07.028

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title = "Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule",

abstract = "The hydrogen-bonded structure of the (Benzoic acid)2-(Water)1 (BA2-W1) cluster was investigated by infrared spectroscopy in the OH stretch region. The stable BA dimer has the cyclic structure with the two hydrogen bonds between the carboxyl groups. The observed infrared spectrum of BA2-W1 shows that the water molecule is inserted in between the two carboxylic groups of the cyclic dimer. This means that a single water molecule begins to dissociate the cyclic dimer. This observation can be regarded as the initial step of dissociation of the stable cyclic BA dimer in aqueous solution.",

keywords = "Benzoic acid, Cluster, Hydration, Infrared spectroscopy",

author = "Marusu Katada and Asuka Fujii",

note = "Publisher Copyright: {\textcopyright} 2017 Elsevier B.V.",

year = "2017",

doi = "10.1016/j.cplett.2017.07.028",

language = "English",

volume = "684",

pages = "368--372",

journal = "Chemical Physics Letters",

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TY - JOUR

T1 - Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule

AU - Katada, Marusu

AU - Fujii, Asuka

PY - 2017

Y1 - 2017

N2 - The hydrogen-bonded structure of the (Benzoic acid)2-(Water)1 (BA2-W1) cluster was investigated by infrared spectroscopy in the OH stretch region. The stable BA dimer has the cyclic structure with the two hydrogen bonds between the carboxyl groups. The observed infrared spectrum of BA2-W1 shows that the water molecule is inserted in between the two carboxylic groups of the cyclic dimer. This means that a single water molecule begins to dissociate the cyclic dimer. This observation can be regarded as the initial step of dissociation of the stable cyclic BA dimer in aqueous solution.

AB - The hydrogen-bonded structure of the (Benzoic acid)2-(Water)1 (BA2-W1) cluster was investigated by infrared spectroscopy in the OH stretch region. The stable BA dimer has the cyclic structure with the two hydrogen bonds between the carboxyl groups. The observed infrared spectrum of BA2-W1 shows that the water molecule is inserted in between the two carboxylic groups of the cyclic dimer. This means that a single water molecule begins to dissociate the cyclic dimer. This observation can be regarded as the initial step of dissociation of the stable cyclic BA dimer in aqueous solution.

KW - Benzoic acid

KW - Cluster

KW - Hydration

KW - Infrared spectroscopy

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DO - 10.1016/j.cplett.2017.07.028

M3 - Article

AN - SCOPUS:85024100336

SN - 0009-2614

VL - 684

SP - 368

EP - 372

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule

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Keywords

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