Rotationally resolved spectrum of the <i>A</i><sup>2</sup> <i>A</i>″-<i>X</i><sup>2</sup> <i>A</i>″ 000 band of 1-indanyl radical
نویسندگان
چکیده
The rotationally resolved spectrum of the A2 A″-X2 A″ 000 band jet-cooled 1-indanyl near 473 nm is recorded by laser induced fluorescence with a spectral resolution ~0.014 cm−1. Accurate spectroscopic constants for both A2A″ and X2 states are determined from rotational analysis experimental spectrum. These indicative parameters applied to test calculated structure 1-indanyl. calculations show good agreements data. Based on computational molecular orbitals spin densities 1-indanyl, delocalization unpaired pπ electron that stabilizes radical discussed.
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ژورنال
عنوان ژورنال: Chinese Journal of Chemical Physics
سال: 2023
ISSN: ['2327-2244', '1674-0068']
DOI: https://doi.org/10.1063/1674-0068/cjcp2203047