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3-nitroaniline and 3-nitrophenol – A novel non linear optical material

V. KRISHNAKUMAR1,* , R. NAGALAKSHMI1, K. OZGA2, M. PIASECKI3, I. V. KITYK4, P. BRAGIEL3

Affiliation

  1. Department of Physics, Periyar University, Salem – 636 011, India
  2. Institute of Biophysics, Częstochowa Technological University, Armii Krajowej 36 A, Czestochowa, Poland
  3. Institute of Physics, J.Dlugosz University Czestochowa, Poland
  4. Chemical Department, Silesian Technological University, ul. Strzody 9, Gliwice, Poland

Abstract

Single crystals of co-crystallized 3-nitroaniline and 3-nitrophenol (3-NA: 3-NPh) have been grown from saturated solution (pH= 3.26) of the synthesized salt of 3-NA: 3-NPh by the slow evaporation technique at 30°C using a mixture of chloroform and petroleum ether as a solvent. The structural, vibrational and second-order nonlinear optical properties of the crystals were studied under application of the polarized UV-induced field. Besides the ab initio quantum chemical calculations have been performed at HF/6-31G (d) and time dependent DFT method level to derive first order hyperpolarizability. To compare an influence of the crystalline long-range ordering and of the applied effective electric field to the nonlinear optical susceptibilities additional calculations were performed for second order susceptibilities within the FLAPW method. Comparing the values of the second order optical susceptibilities and of the first order hyperpolarizabilites we estimate the role of long-range order intrinsic charged defect states in the observed processes. Moreover, possible increase of the susceptibilities due to applied vectorial fields is discussed. The performed measurements of the effective second harmonic generation for the 1320 nm fundamental wavelength show substantial dependence of the effective second-order susceptibilities versus the applied nitrogen laser field polarized along the z-crystallographic axes. We have also investigated the anisotropic features of the optical second harmonic generation..

Keywords

Solution growth, X ray diffraction, Vibrational spectroscopy, Hyperpolarizability, Second harmonic generation.

Submitted at: Jan. 16, 2009
Accepted at: Feb. 24, 2009

Citation

V. KRISHNAKUMAR, R. NAGALAKSHMI, K. OZGA, M. PIASECKI, I. V. KITYK, P. BRAGIEL, 3-nitroaniline and 3-nitrophenol – A novel non linear optical material, Journal of Optoelectronics and Advanced Materials Vol. 11, Iss. 2, pp. 123-133 (2009)