1,3,4‐Thiadiazolidine‐2,5‐dione: Crystal Structure,Calculation of Aromaticity and Photodecomposition Quantum Yield |
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| Authors: | Thorbjørn J Morsing Magnus Schau‐Magnussen Anders Døssing |
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| Institution: | Department of Chemistry, University of Copenhagen, Copenhagen, Denmark |
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| Abstract: | Single crystals of 1,3,4‐thiadiazolidine‐2,5‐dione ( 1 ) have been grown and the X‐ray crystal structure showed the molecule to be planar with sp2‐hybridized nitrogen atoms. Density functional theory calculations of nucleus‐independent chemical shifts profiles show that 1 is non‐aromatic. From actinometry, it was found that continuous photolysis of 1 in methanol at λ = 254 nm resulted in a decomposition with the quantum yield Φ = 0.076(7) mol/Einstein at room temperature. |
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