Abstract
Principal possibility of formation of trithiatetracyclononane structures via intramolecular rearrangements in bis(thioxopropenyl) sulfide systems, involving the lowest triplet state, was studied by the DFT(B3LYP) quantum-chemical molecular modeling analysis.
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Original Russian Text © V.A. Shagun, V.I. Smirnov, L.V. Timokhina, 2008, published in Zhurnal Obshchei Khimii, 2008, Vol. 78, No. 2, pp. 318–323.
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Shagun, V.A., Smirnov, V.I. & Timokhina, L.V. Quantum-chemical study of intramolecular photocyclization in bis(thioxopropenyl) sulfide systems. Russ J Gen Chem 78, 295–300 (2008). https://doi.org/10.1134/S1070363208020199
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DOI: https://doi.org/10.1134/S1070363208020199