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)-1,3-thiazolium-5-thiolate and 2-(4-nitrophenyl)-3...

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Bibliographic Details
Main Author: Lyra,Bruno F. (author)
Other Authors: Morais,Soraya A. de (author), Rocha,Gerd B. (author), Miller,Joseph (author), Moura,Gustavo L. C. (author), Simas,Alfredo M. (author), Peppe,Clovis (author), Athayde-Filho,Petrônio F. de (author)
Format: article
Language:eng
Published: 2010
Subjects:
mesoionic compounds
1,3-thiazolium-5-thiolate
nonlinear optical properties
semiempirical calculations
photonic devices
Online Access:http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532010000500024
Country:Brazil
Oai:oai:scielo:S0103-50532010000500024

Internet

http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532010000500024

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