Fine and hyperfine coupling constants of the cis-β-cyanovinyl radical, HCCHCN

Literature Information

Publication Date 2022-04-14
DOI 10.1039/D2CP00516F
Impact Factor 3.676
Authors

Masakazu Nakajima, Yi-Ting Liu, Ching Hua Chang, Kenji Seiki, Yoshihiro Sumiyoshi, Yasuhiro Ohshima, Jian Tang, Yasuki Endo


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Abstract

A Fourier-transform microwave spectrum of the cis-β-cyanovinyl radical is re-measured for the Ka = 0 ladder of the a-type transitions up to 30 GHz and the 212–111 transition at 19.85 GHz. Four b-type transitions are also observed using a MW–MW double-resonance technique. Fine and hyperfine components observed for each rotational transition are fully assigned in the present study, and the precise molecular constants are determined for the radical. From the comparisons of the hyperfine coupling constants with those of the vinyl radicals, it is concluded that the substitution of one of the β-hydrogens by the cyano group has little effect on the electronic structure of the vinyl radical.

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Source Journal

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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