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Quantum calculations of NLO properties for a series of natural pigments extracted from spinach

A. MIGALSKA-ZALAS1, E. JANKOWSKA-SAHRAOUI2,* , K. BOUCHOUIT3

Affiliation

  1. Institute of Physics, J. Dlugosz Academy of Czestochowa, PL-42217, Aleja Armii Krajowej 13/15, Czestochowa, Poland
  2. Institut de Mathématiques Appliquées, Université Catholique de l’Ouest, 44 rue Rabelais, B.P.10808, 49008 Angers, France
  3. Département de Chimie, Faculté des Sciences, Université de Jijel, Algeria

Abstract

Quantum chemical simulations of absorption spectra and second order molecular hyperpolarisabillity for a series of natural pigments extracted from spinach using a semi-empirical approach were performed. The studied molecules possess functional: hydroxyl, methyl and oxygen groups, which significally modify the physical properties of particles. Analysis of the contibution of particular molecular group on the nonlinear optical properties is done.The theoretical calculation show that the second–order hyperpolarizabilities γ depends from the wavelength of incident electromagnetic radiation. The presence of functional groups attached to the back side hexagonal rings causes the substantial changes of both absorption spectra as well as nonlinear transmition and nonlinear optical coefficients. A big enhancement of the molecular cubic hyperpolarizability in these systems for several wavelength of incident light beam was shown. A comparison between the performed theoretical simulations and experimental results shows the possibilility of using the proposed methods for prediction the contributon of individual parts of the molecules on the nonlinear optical coefficients..

Keywords

Spinach, Natural pigments, Absorption spectra.

Submitted at: Aug. 24, 2011
Accepted at: Oct. 20, 2011

Citation

A. MIGALSKA-ZALAS, E. JANKOWSKA-SAHRAOUI, K. BOUCHOUIT, Quantum calculations of NLO properties for a series of natural pigments extracted from spinach, Journal of Optoelectronics and Advanced Materials Vol. 13, Iss. 10, pp. 1227-1234 (2011)