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10.1063/1.4983157

http://scihub22266oqcxt.onion/10.1063/1.4983157
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C5422206!5422206!28529962
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suck abstract from ncbi


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pmid28529962      Struct+Dyn 2017 ; 4 (4): ä
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  • Picosecond sulfur K-edge X-ray absorption spectroscopy with applications to excited state proton transfer #MMPMID28529962
  • Van Kuiken BE; Ross MR; Strader ML; Cordones AA; Cho H; Lee JH; Schoenlein RW; Khalil M
  • Struct Dyn 2017[Jul]; 4 (4): ä PMID28529962show ga
  • Picosecond X-ray absorption (XA) spectroscopy at the S K-edge (?2.4?keV) is demonstrated and used to monitor excited state dynamics in a small organosulfur molecule (2-Thiopyridone, 2TP) following optical excitation. Multiple studies have reported that the thione (2TP) is converted into the thiol (2-Mercaptopyridine, 2MP) following photoexcitation. However, the timescale and photochemical pathway of this reaction remain uncertain. In this work, time-resolved XA spectroscopy at the S K-edge is used to monitor the formation and decay of two transient species following 400?nm excitation of 2TP dissolved in acetonitrile. The first transient species forms within the instrument response time (70 ps) and decays within 6?ns. The second transient species forms on a timescale of ?400 ps and decays on a 15?ns timescale. Time-dependent density functional theory is used to identify the first and second transient species as the lowest-lying triplet states of 2TP and 2MP, respectively. This study demonstrates transient S K-edge XA spectroscopy as a sensitive and viable probe of time-evolving charge dynamics near sulfur sites in small molecules with future applications towards studying complex biological and material systems.
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