High-resolution laser spectroscopy of the trans- and cis-1-vinylpropargyl radicals.

J Chem Phys

Hefei National Laboratory for Physical Sciences at the Microscale and Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China.

Published: February 2022

Rotationally resolved spectra of the ÃA-X̃A origin bands for both trans- and cis-conformers of 1-vinylpropargyl radical (1VPR) are experimentally studied. Rotational constants for both ground and electronically excited states are experimentally determined. The stability of the ÃA excited state of the cis-1VPR is found to be higher than that of trans-1VPR, which is likely due to additional π-overlap and increased p electron delocalization in the excited state of cis-1VPR.

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http://dx.doi.org/10.1063/5.0078580DOI Listing

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