Journal article
Authors list: Chen, CY; Wang, LN; Zhao, XF; Wu, Z; Bernhardt, B; Eckhardt, AK; Schreiner, PR; Zeng, XQ
Publication year: 2020
Pages: 7975-7983
Journal: Physical Chemistry Chemical Physics
Volume number: 22
Issue number: 15
ISSN: 1463-9076
DOI Link: https://doi.org/10.1039/d0cp00962h
Publisher: Royal Society of Chemistry
Abstract:
Small molecules solely consisting of H, N, O, and S are highly relevant intermediates in atmospheric chemistry and biology. Even though several isomers of [HNO2S] have been computationally predicted, only the IR spectra for the two lowest-energy isomers HNSO2 and syn-syn HONSO have been previously reported. Herein, the photochemistry (193 nm laser) of HNSO2 in N-2-, Ne-, and Ar-matrices (<= 15 K) has been studied. Aside from syn-syn HONSO, several new isomers including anti-syn HONSO, gauche-syn HOSNO, syn HOS(O)N, anti HOS(O)N, syn HS(O)NO, anti HN(O)SO, gauche-syn HSONO, and an elusive caged-radical pair HOS center dot...center dot NO have been identified. Additionally, the formation of fragments HONO, HO center dot, center dot NO, and center dot NO2 has also been observed. The characterization of these species with matrix-isolation IR and UV/Vis spectroscopy is supported by N-15-labeling and quantum chemical computations at the B3LYP/6-311++G(3df,3pd) level. Furthermore, the photo-induced isomerization reactions, including the conformational conversion of syn-syn HONSO -> anti-syn HONSO and reversible isomerization of HOSNO <-> anti-syn HONSO, syn-syn HONSO <-> HN(O)SO, HSONO <-> HS(O)NO, and HOS center dot...center dot NO <-> HOSNO have also been observed, and the underlying mechanism is discussed.
Citation Styles
Harvard Citation style: Chen, C., Wang, L., Zhao, X., Wu, Z., Bernhardt, B., Eckhardt, A., et al. (2020) Photochemistry of HNSO2 in cryogenic matrices: spectroscopic identification of the intermediates and mechanism, Physical Chemistry Chemical Physics, 22(15), pp. 7975-7983. https://doi.org/10.1039/d0cp00962h
APA Citation style: Chen, C., Wang, L., Zhao, X., Wu, Z., Bernhardt, B., Eckhardt, A., Schreiner, P., & Zeng, X. (2020). Photochemistry of HNSO2 in cryogenic matrices: spectroscopic identification of the intermediates and mechanism. Physical Chemistry Chemical Physics. 22(15), 7975-7983. https://doi.org/10.1039/d0cp00962h
