Abstract

INCHAUSTEGUI, Jean P.  and  PUMACHAGUA, Rodolfo. Computational study on second-order nonlinear optical properties of donor-acceptor substituted copper phthalocyanines. Rev. Soc. Quím. Perú [online]. 2015, vol.81, n.3, pp.232-241. ISSN 1810-634X.

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.

Keywords : Phthalocyanine; hyperpolarizability; DFT.

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