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Heterocumulene, 8 C 4 OS (4‐Thioxo‐1,2,3‐butatrien‐1‐on), C 4 S 2 (1,2,3‐Butatrien‐1,4‐dithion) und C 3 S (3‐Thioxo‐1,2‐propadienyliden) ‐ Darstellung und spektroskopische Eigenschaften
Author(s) -
Maier Günther,
Schrot Jürgen,
Reisenauer Hans Peter,
Janoschek Rudolf
Publication year - 1991
Publication title -
chemische berichte
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 0009-2940
DOI - 10.1002/cber.19911241136
Subject(s) - chemistry , photodissociation , matrix isolation , singlet state , molecule , flash photolysis , crystallography , photochemistry , excited state , atomic physics , physics , organic chemistry , quantum mechanics , reaction rate constant , kinetics
Heterocumulenes, 8. — C 4 OS (4‐Thioxo‐1,2,3‐butatrien‐1‐one), C 4 S 2 (1,2,3‐Butatriene‐1,4‐dithione), and C 3 S (3‐Thioxo‐1,2‐propadienylidene) ‐ Preparation and Spectroscopic Properties C 4 OS ( 8 ) is prepared by matrix photolysis and by flash pyrolysis of the precursor molecule 4 , C 4 S 2 ( 12 ) by matrix photolysis of 10, 11 , and 13 . Upon irradiation both 8 and 12 are split reversibly into C 3 S ( 9 ) and CO or CS. The IR and UV/Vis spectra of C 4 OS ( 8 ), C 3 S ( 9 ), and C 4 S 2 ( 12 ) are reported. Quantumchemical calculations have been performed for the structures, harmonic vibrational frequencies, singlet‐triplet gaps, and electronic transition energies of 8 and 12 .