Journal article

Publication year: 2020

Pages: 094303-

Journal: The Journal of Chemical Physics

Volume number: 153

Issue number: 9

ISSN: 0021-9606

DOI Link: https://doi.org/10.1063/5.0020669

Publisher: American Institute of Physics

Abstract: 
Elusive [S, S, N, O] isomers including the perthiyl radical center dot SSNO are S/N hybrid species in the complex bioinorganic chemistry of signaling molecules H2S and center dot NO. By mixing thermally generated disulfur (S-2) with center dot NO in the gas phase, center dot SSNO was generated and subsequently isolated in cryogenic Ar- and N-2-matrices at 10.0 K and 15.0 K, respectively. Upon irradiation with a 266 nm laser, center dot SSNO isomerizes to novel sulfinyl radicals cis-NSSO center dot and trans-NSSO center dot as well as thiyl radicals cis-OSNS center dot and trans-OSNS center dot, which have been characterized by combining matrix-isolation IR (N-15-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 center dot and OSNS center dot has also been observed.

Harvard Citation style: Wang, L., Wu, Z., Lu, B., Eckhardt, A., Schreiner, P., Trabelsi, T., et al. (2020) Spectroscopic identification of the center dot SSNO isomers, The Journal of Chemical Physics, 153(9), p. 094303. https://doi.org/10.1063/5.0020669

APA Citation style: Wang, L., Wu, Z., Lu, B., Eckhardt, A., Schreiner, P., Trabelsi, T., Francisco, J., Yao, Q., Xie, C., Guo, H., & Zeng, X. (2020). Spectroscopic identification of the center dot SSNO isomers. The Journal of Chemical Physics. 153(9), 094303. https://doi.org/10.1063/5.0020669