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 | |
Lyra, Bruno F.1  Athayde-Filho, Petrônio F. de1  Simas, Alfredo M.1  Peppe, Clovis1  Rocha, Gerd B.1  Moura, Gustavo L. C.1  Miller, Joseph1  Universidade Federal da Paraíba, Recife, Brazil1  Morais, Soraya A. de1  Universidade Federal da Paraíba, João Pessoa, Brazil1  Universidade Federal de Santa Maria, Santa Maria, Brazil1  | |
关键词: mesoionic compounds; 1; 3-thiazolium-5-thiolate; nonlinear optical properties; semiempirical calculations; photonic devices; | |
DOI : 10.1590/S0103-50532010000500024 | |
学科分类:化学(综合) | |
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】
Unknown
【 预 览 】
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RO201912050581014ZK.pdf | 848KB | download |