THEORETICAL STUDY OF NONLINEAR OPTICAL PROPERTIES IN 3-SUBSTITUTED-4-AMINO-4'-NITRO DIPHENYLSULFIDE

  • Jean P. Incháustegui Autor
  • Rodolfo Pumachagua Autor
DOI: https://doi.org/10.37761/rsqp.v80i3.223
Keywords: Nonlinear optics, dipolar moment, polarizability, hyperpolarizability, diphenyl sulfide

Abstract

This work identifies the structural and optical properties of species 4-amino-4'- nitrodiphenilsulfide such as: static dipole moment (ì), mean polarizability (á0), anisotropy of the polarizability (Äá) and the first hyperpolarizability average (â0). Data were obtained through the theory of the density functional, using B3LYP hybrid functional and feature 6- 31G basis.

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Author Biographies

Jean P. Incháustegui, Autor

Universidad Nacional Federico Villarreal, Faculty of Natural and Mathematical Sciences,
Theoretical Chemistry Laboratory, Jr. Chepen s / n (El Agustino) Peru.

Rodolfo Pumachagua, Autor

Universidad Nacional Federico Villarreal, Faculty of Natural and Mathematical Sciences,
Theoretical Chemistry Laboratory, Jr. Chepen s / n (El Agustino) Peru.

Published
2014-09-30
Issue
Vol. 80 No. 3 (2014): Journal of Sociedad Química del Perú
Section
Artículos

Copyright (c) 2014 Sociedad Química del Perú

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