C–H stretching vibrations of benzene and toluene in their S1 states observed by double resonance vibrational spectroscopy in supersonic jets

Literature Information

Publication Date 2002-03-19
DOI 10.1039/B108039C
Impact Factor 3.676
Authors

Chika Minejima, Takayuki Ebata, Naohiko Mikami


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Abstract

An investigation of CH stretching vibrations in benzene and toluene in their S1 states has been carried out using UV–IR and stimulated Raman–UV double resonance spectroscopic methods. In benzene two CH stretching vibrations, namely ν′20 and ν′2, were observed, and in the case of toluene both aromatic CH and methyl CH stretching vibrations were observed. The ν′20 of benzene is strongly coupled with ν′8 + ν′14via anharmonic resonance. The aromatic CH stretching vibrations in toluene also exhibit strong anharmonic resonance, leading to the appearance of a large number of bands in the 3000–3100 cm−1 region. The observed frequencies of CH stretching vibrations in the S1 state in both benzene and toluene are higher than the corresponding values in the S0 state. On the other hand, methyl CH stretching vibrations in the S1 state of toluene occur at a lower frequency than those in the S0 state.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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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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