期刊论文详细信息
Journal of the Brazilian Chemical Society | |
1,3-thiazolium-5-thiolates mesoionic compounds: semiempirical evaluation of their first static hyperpolarizabilities and synthesis of new examples | |
Bruno F. Lyra2  Soraya A. De Morais2  Gerd B. Rocha2  Joseph Miller1  Gustavo L. C. Moura1  Alfredo M. Simas1  Clovis Peppe1  Petrônio F. De Athayde-filho2  | |
[1] ,Universidade Federal da Paraíba Departamento de Química João Pessoa PB ,Brazil | |
关键词: mesoionic compounds; 1; 3-thiazolium-5-thiolate; nonlinear optical properties; semiempirical calculations; photonic devices; | |
DOI : 10.1590/S0103-50532010000500024 | |
来源: SciELO | |
【 摘 要 】
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)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3-methyl-4-(methoxyphenyl)-1,3-thiazolium-5-thiolate - were synthesized and characterized by analytical and spectroscopic means.
【 授权许可】
CC BY
All the contents of this journal, except where otherwise noted, is licensed under a Creative Commons Attribution License
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