Spectroscopic identification of the â¢SSNO isomers.
J Chem Phys
; 153(9): 094303, 2020 Sep 07.
Article
em En
| MEDLINE
| ID: mdl-32891090
ABSTRACT
Elusive [S, S, N, O] isomers including the perthiyl radical â¢SSNO are S/N hybrid species in the complex bioinorganic chemistry of signaling molecules H2S and â¢NO. By mixing thermally generated disulfur (S2) with â¢NO in the gas phase, â¢SSNO was generated and subsequently isolated in cryogenic Ar- and N2-matrices at 10.0 K and 15.0 K, respectively. Upon irradiation with a 266 nm laser, â¢SSNO isomerizes to novel sulfinyl radicals cis-NSSO⢠and trans-NSSO⢠as well as thiyl radicals cis-OSNS⢠and trans-OSNSâ¢, which have been characterized by combining matrix-isolation IR (15N-labeling) and UV/Vis spectroscopy and quantum chemical calculations at the CCSD(T)-F12/cc-pVTZ-F12 level of theory. The photo-induced reversible interconversion between NSSO⢠and OSNS⢠has also been observed.
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Base de dados:
MEDLINE
Tipo de estudo:
Diagnostic_studies
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article