Journal article

Generation and Spectroscopic Identification of the Thiuram Radical (CH3)(2)NCS2


Authors listMardyukov, A; Keul, F; Schreiner, PR

Publication year2019

Pages4937-4941

JournalThe Journal of Physical Chemistry A

Volume number123

Issue number23

ISSN1089-5639

DOI Linkhttps://doi.org/10.1021/acs.jpca.9b03307

PublisherAmerican Chemical Society


Abstract
We report the first preparation, matrix-isolation, and IR and UV/vis spectroscopic characterization of the thiuram radical that is a highly important species for many industrial processes. The thiuram radical was prepared by thermal dissociation of tetramethylthiuram disulfide and was identified by matching its spectroscopic data with density functional theory [UB3LYP/6-311++G(3df,3pd)] computations. The title compound proved to be highly photolabile, and irradiation with light at lambda = 623 nm affords a hitherto unknown carbamodithioic acid, N-(methyl)-N-methyl radical, as characterized by IR and UV/vis spectroscopy in low-temperature matrices.



Citation Styles

Harvard Citation styleMardyukov, A., Keul, F. and Schreiner, P. (2019) Generation and Spectroscopic Identification of the Thiuram Radical (CH3)(2)NCS2, The Journal of Physical Chemistry A, 123(23), pp. 4937-4941. https://doi.org/10.1021/acs.jpca.9b03307

APA Citation styleMardyukov, A., Keul, F., & Schreiner, P. (2019). Generation and Spectroscopic Identification of the Thiuram Radical (CH3)(2)NCS2. The Journal of Physical Chemistry A. 123(23), 4937-4941. https://doi.org/10.1021/acs.jpca.9b03307


Last updated on 2025-21-05 at 15:47