The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic,and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. , Category: thiazines, 66-27-3, Name is Methyl methanesulfonate, molecular formula is C2H6O3S, belongs to thiazines compound. In a document, author is Schneeweis, Arno, introduce the new discover.
Radical cation and dication of a 4H-dithieno[2,3-b:3′,2′-e][1,4]-thiazine
A p-tert-butylphenyl substituted 4H-dithieno[2,3-b: 3′,2′-e][1,4] thiazine was synthesized by twofold Buchwald-Hartwig coupling. The electronic properties (UV/Vis, cyclic voltammetry and spectroelectrochemistry) and the DFT-and TD DFT-calculated electronic structure reveal that the parent system and the radical cation and dication oxidation products are highly polarizable p-systems with strong charge transfer contributions. The radical cation and the dication were prepared by oxidation with antimony(V) pentachloride, giving stable deeply colored salts. EPR spectroscopy of the radical cation furnishes hyperfine coupling constants with the nitrogen nucleus and the alpha-thienyl protons. The dication is EPR silent and was structurally characterized by recording an NMR spectrum.
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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem