1, 3-thiazolium-5-thiolates mesoionic compounds: Semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples
Semiempirical AM1-TDHF calculations of the static first hyperpolarizabilities, β(0), of 1, 3-thiazolium-5-thiolate mesoionic derivatives were performed. Guided by these results, two new mesoionic compounds - 2-(4-nitrophenyl)-3-methyl-4-(methylphenyl)-1,
Lyra, Bruno F.,De Morais, Soraya A.,Rocha, Gerd B.,Miller, Joseph,Moura, Gustavo L.C.,Simas, Alfredo M.,Peppe, Clovis,De Athayde-Filhoa, Petro?nio F.
experimental part
p. 934 - 940
(2010/09/08)
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