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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/129/06/0721-0731

    • Keywords

       

      Condensed phthalazine; DFT calculations; spectroscopic analysis; X-ray structure; NLO

    • Abstract

       

      Two condensed phthalazine compounds were synthesized and characterized by FT-IR, UV-Vis,NMR spectroscopic studies. Single crystal XRD and molecular orbital calculations. Optimized geometrical structures were computed with RB3LYP method with the 6-31G(p, d) basis set. The geometrical parameters of both compounds obtained from Single Crystal XRD were found to be in accord with the calculated (DFT) values. The electronic contribution χ₃THG was measured using the third harmonic generation technique on thin films at 1064 nm for both compounds. Also, the values of dipole moment μ, the average polarizability ¯α, and the first static hyperpolarizability (β0) were computed. The theoretical and experimental results confirm the NLO behavior of both compounds.

    • Author Affiliations

       

      ESMA LAMERA1 LYAMINE MESSAADIA2 SOFIANE BOUACIDA1 3 AISSA CHIBANI1 KARIM BOUCHOUIT4 BOUCHTA SAHRAOUI5 ABDELMALEK BOURAIOU1

      1. Unité de Recherche de Chimie de l’Environnement et Moléculaire Structurale, Université des Frères Mentouri, Constantine 25000, Algeria
      2. Laboratoire Énergétique Appliquée et Matériaux, Université de Jijel, 18000 Jijel, Algeria
      3. Département des sciences de la matière, Université Oum El Bouaghi, 04000 Oum El Bouaghi, Algeria
      4. Ecole Normal Supérieure de Constantine, Ville Universitaire, Ain El Bey Ali Mendjeli, Constantine, Algeria
      5. CNRS UMR 6200, Laboratoire MOLTECH-Anjou, LUNAMUniversité, Université d’Angers, 2 Bd Lavoisier, 49045 Angers Cedex, France
    • Dates

       
    • Supplementary Material

       
  • Journal of Chemical Sciences | News

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