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• W3005666811 endingPage "1921" @default.
• W3005666811 startingPage "1911" @default.
• W3005666811 abstract "UV photodecomposition of azidomethyl methyl sulfide (AMMS) yields a transient S-methylthiaziridine which rapidly evolves to S-methyl-N-sulfenylmethanimine at 10 K. This species was detected by infrared matrix isolation spectroscopy. The mechanism of the photoreaction of AMMS has been investigated by a combined approach, using low-temperature matrix isolation FTIR spectroscopy in conjunction with two theoretical methods, namely, complete active space self-consistent field and multiconfigurational second-order perturbation. The key step of the reaction is governed by a S2/S1 conical intersection localized in the neighborhood of the singlet nitrene minimum which is formed in the first reaction step of the photolysis, that is, N2 elimination from AMMS. Full assignment of the observed infrared spectra of AMMS has been carried out based on comparison with density functional theory and second-order perturbation Møller–Plesset methods." @default.
• W3005666811 created "2020-02-24" @default.
• W3005666811 creator A5039650766 @default.
• W3005666811 creator A5047405657 @default.
• W3005666811 creator A5052986531 @default.
• W3005666811 creator A5059320392 @default.
• W3005666811 creator A5059366403 @default.
• W3005666811 creator A5076539937 @default.
• W3005666811 creator A5078421218 @default.
• W3005666811 creator A5080856986 @default.
• W3005666811 creator A5083711714 @default.
• W3005666811 date "2020-02-13" @default.
• W3005666811 modified "2023-10-14" @default.
• W3005666811 title "Insights into the Photodecomposition of Azidomethyl Methyl Sulfide: A S₂/S₁ Conical Intersection on Nitrene Potential Energy Surfaces Leading to the Formation of <i>S</i>-Methyl-<i>N</i>-sulfenylmethanimine" @default.
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