Journal article

Publication year: 2022

Pages: 15129-15134

Journal: Physical Chemistry Chemical Physics

Volume number: 24

Issue number: 24

ISSN: 1463-9076

eISSN: 1463-9084

DOI Link: https://doi.org/10.1039/d2cp01658c

Publisher: Royal Society of Chemistry

Abstract: 
Vinyltelluryl radical was prepared by high-vacuum flash pyrolysis from the corresponding divinylditelluride and trapped in an argon matrix at 10 K. The title compound was characterized by IR and UV/Vis spectroscopy, and all experimental data match well with density functional theory at the UB3LYP/def2-QZVPP level. According to UB3LYP/def2-QZVPP computations, the spin density is mainly localized on the Te atom. The vinylogy principle for the vinyltelluryl radical is not applicable due to the lack of delocalization of spin density. Upon irradiation of the matrix with light (lambda = 365 nm), the vinyltelluryl radical rearranges to a H-TeMIDLINE HORIZONTAL ELLIPSISacetylene complex. Doping the matrix with molecular oxygen leads to the hitherto unknown vinyltelluro peroxy radical. The latter isomerizes to the more thermodynamically stable vinyltelluroyl radical by irradiation with light at lambda = 523 nm.

Harvard Citation style: Keul, F. and Mardyukov, A. (2022) Generation and reactivity of vinyltelluryl radical, Physical Chemistry Chemical Physics, 24(24), pp. 15129-15134. https://doi.org/10.1039/d2cp01658c

APA Citation style: Keul, F., & Mardyukov, A. (2022). Generation and reactivity of vinyltelluryl radical. Physical Chemistry Chemical Physics. 24(24), 15129-15134. https://doi.org/10.1039/d2cp01658c