Solute–solvent hydrogen-bonding in room temperature ionic liquids studied by Raman spectroscopy

Literature Information

Publication Date 2012-08-16
DOI 10.1039/C2CP41567D
Impact Factor 3.676
Authors

Akira Kobayashi, Koji Osawa, Masahide Terazima, Yoshifumi Kimura


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Abstract

The vibrational frequencies of the CO + CC band of diphenylcyclopropenone and the NH2 stretching band of p-aminobenzonitrile were determined in various room temperature ionic liquids (RTILs). The vibrational frequency shifts of the CO + CC stretching mode were compared with Kamlet α values, and frequency shifts of the NH2 stretching mode were compared with Kamlet β values. A nearly linear relationship was obtained for both parameters, although the solvatochromic parameters were more sensitive to changes of the cation species. Vibrational frequency calculations of a 1 : 1 cluster of p-aminobenzonitrile with the RTIL anions using DFT theory reproduced the observed frequency shifts of the NH2 stretching mode fairly well. The frequency shifts of the CN stretching mode were well reproduced by the linear combination of dipolarity parameters, the hydrogen-bond donating and accepting parameters determined by the Raman shift of the solute molecule.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
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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.

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