Carbon K-edge x-ray emission spectroscopy of gas phase ethylenic molecules
نویسندگان
چکیده
Abstract We report on the C K-edge x-ray absorption spectra and resonant (RXES) non-resonant (NXES) emission of ethylene, allene butadiene in gas phase. The RXES NXES show clear differences for different molecules. Overall both types are more structured ethylene allene, than butadiene. Using density functional theory–restricted open shell configuration interaction single calculations, we simulate with remarkable agreement experiment. identify spectral features as being due to transitions involving localised 1s orbitals. For there distinct bands that reflect predominantly from either central or terminal carbon atoms. These results discussed context ultrafast studies aimed at detecting passage through conical intersections polyatomic
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ژورنال
عنوان ژورنال: Journal of Physics B
سال: 2022
ISSN: ['0953-4075', '1361-6455']
DOI: https://doi.org/10.1088/1361-6455/ac4e66