Light-induced radical formation and isomerization of an aromatic thiol in solution followed by time-resolved x-ray absorption spectroscopy at the sulfur K-edge

Ochmann, Miguel; von Ahnen, Inga; Cordones, Amy A.; Hussain, Abid; Lee, Jae Hyuk; Hong, Kiryong; Adamczyk, Katrin; Vendrell, Oriol; Kim, Tae Kyu; Schoenlein, Robert W.; Huse, Nils

doi:10.1021/jacs.6b12992

Title: Light-induced radical formation and isomerization of an aromatic thiol in solution followed by time-resolved x-ray absorption spectroscopy at the sulfur K-edge

Journal Article · Mon Feb 20 00:00:00 EST 2017 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.6b12992· OSTI ID:1361057

Ochmann, Miguel ^[1]; von Ahnen, Inga ^[2]; Cordones, Amy A. ^[3]; Hussain, Abid ^[1]; Lee, Jae Hyuk ^[4]; Hong, Kiryong ^[5]; Adamczyk, Katrin ^[1];

^[6];

^[7]; Schoenlein, Robert W. ^[8];

^[1]

Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany). Dept. of Physics; Max Planck Institute for the Structure and Dynamics of Matter, Hamburg (Germany)
Univ. of Hamburg and Center for Free Electron Laser Science, Hamburg (Germany). Dept. of Physics; Lund Univ., Lund (Sweden). NanoLund and Division of Solid State Physics
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Ultrafast X-ray Science Lab and Chemical Sciences Division; SLAC National Accelerator Lab., Menlo Park, CA (United States). PULSE Inst.
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Ultrafast X-ray Science Lab and Chemical Sciences Division; Pohang Accelerator Lab., Kyungbuk (South Korea)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Ultrafast X-ray Science Lab and Chemical Sciences Division; Pusan National Univ., Busan (South Korea). Dept. of Chemistry and Chemistry Inst. of Functional Materials; Korea Research Institute of Standards and Science, Daejeon (Republic of Korea). Center for Gas Analysis and Division of Metrology for Quality of Life
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Hamburg Centre for Ultrafast Imaging (CUI) and Center for Free-Electron Laser Science (CFEL); Aarhus Univ., Aarhus (Denmark). Dept. of Physics and Astronomy
Pusan National Univ., Busan (South Korea)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Ultrafast X-ray Science Lab and Chemical Sciences Division; SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)

We applied time-resolved sulfur-1s absorption spectroscopy to a model aromatic thiol system as a promising method for tracking chemical reactions in solution. Sulfur-1s absorption spectroscopy allows tracking multiple sulfur species with a time resolution of ~70 ps at synchrotron radiation facilities. Experimental transient spectra combined with high-level electronic structure theory allow identification of a radical and two thione isomers, which are generated upon illumination with 267 nm radiation. Moreover, the regioselectivity of the thione isomerization is explained by the resulting radical frontier orbitals. This work demonstrates the usefulness and potential of time-resolved sulfur-1s absorption spectroscopy for tracking multiple chemical reaction pathways and transient products of sulfur-containing molecules in solution.

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Research Organization:: SLAC National Accelerator Lab. (SLAC), Menlo Park, CA (United States); Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; Max Planck POSTECH/KOREA Research Initiative Program; National Research Foundation of Korea (NRF); Max Planck Society; German Research Foundation (DFG)

Grant/Contract Number:: AC02-05CH11231; 2016R1E1A1A01941978; 2013S1A2A2035406; 2014R1A4A1001690; 2016K1A4A4A01922028

OSTI ID:: 1361057

Alternate ID(s):: OSTI ID: 1458489

Journal Information:: Journal of the American Chemical Society, Vol. 139, Issue 13; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
sulfur
radical
thione
isomerization
aromatic thiol
thiophenol
X-ray absorption
time-resolved

Title: Light-induced radical formation and isomerization of an aromatic thiol in solution followed by time-resolved x-ray absorption spectroscopy at the sulfur K-edge

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