COMPUTATIONAL STUDY ON SECOND-ORDER NONLINEAR OPTICAL PROPERTIES OF DONOR-ACCEPTOR SUBSTITUTED COPPER PHTHALOCYANINES

  • Jean P. Inchaustegui Autor
  • Rodolfo Pumachagua Autor
DOI: https://doi.org/10.37761/rsqp.v81i3.22
Keywords: Phthalocyanine, hyperpolarizability, DFT

Abstract

The second-order nonlinear optical properties (NLO) of a set of copper phthalocyanines have
been studied based on density functional theory calculations. Our calculations show that
they possess high value NLO properties. The first hyperpolarizabilities can be enhanced by
position and number of donor-acceptor substituents along the phthalocyanine core.

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Author Biographies

Jean P. Inchaustegui, Autor

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

Rodolfo Pumachagua, Autor

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

Published
2015-09-30
Issue
Vol. 81 No. 3 (2015): Journal of Sociedad Química del Perú
Section
Artículos

Copyright (c) 2015 Sociedad Química del Perú

Creative Commons License

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