Open AccessCryogenic Photochemical Synthesis and Electronic Spectroscopy of Cyanotetracetylene
Author(s) -
Urszula Szczepaniak,
Robert Kołos,
Marcin Gronowski,
Michèle Chevalier,
JeanClaude Guillemin,
Michał Turowski,
Thomas Custer,
Claudine Crépin
Publication year - 2017
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.7b07849
Subject(s) - phosphorescence , diacetylene , singlet state , excited state , photochemistry , spectroscopy , molecule , chemistry , triplet state , density functional theory , excited electronic state , electronic structure , singlet fission , excitation , atomic physics , fluorescence , computational chemistry , physics , organic chemistry , optics , quantum mechanics , polymerization , polymer
HC 9 N is a molecule of astrochemical interest. In this study, it was produced in cryogenic Ar and Kr matrices from UV-photolyzed diacetylene/cyanodiacetylene mixtures. Its strong phosphorescence was discovered and served for the identification of the compound. Vibrationally resolved phosphorescence excitation spectra gave insight into excited singlet electronic states. Two electronic systems were observed around 26 000-34 000 cm -1 and 35 000-50 000 cm -1 . Energies of the second excited singlet and the lowest triplet state were derived from analysis of these systems. Vibrational and electronic spectroscopic features were assigned with the assistance of density functional theory calculations. Some trends concerning the electronic spectroscopy of HC 2n+1 N family molecules are presented.
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