Synthesis and characterization of a single crystalline exocyclic double-bonded NLO active chalcone derivative: (2E) -2-(2,4,6-trimethoxybenzylidene) -3,4-dihydro-2H-naphthalene -1-one

Abstract

A novel polycyclic organic compound [2E]-2-(2, 4, 6-trimethoxybenzylidene)-3, 4-dihydro-2H-naphthalene-1-one [TBDN] with the chemical formula C20H20O4 was formed using the Claisen-Schmidt condensation reaction. A good-quality single crystal with the dimensions 25 mm ×12 mm ×6 mm is formed adopting a slow evaporation technique over the time of two weeks, and its characteristics are determined by UV–Vis, FT-IR, and NMR analytical methods. The single-crystal X-ray diffraction technique was used to analyse the grown crystal and determine its cell structure. The aforementioned chemical crystallises in a monoclinic system with the space group Cc and the following unit cell parameters: a = 26.6973(8) Å, b = 9.6336(3), c = 15.2791(4) Å, β= 118.4750(10), Z = 4, and V = 3454.26(18) Å3. The thermal analysis shows that the crystal has good thermal stability. The optical transmission and mechanical toughness of the formed crystals were evaluated. The crystals' second harmonic generation (SHG) efficiency was measured using the conventional powder approach and a Nd:YAG laser. It was worked out to be 4.29 times higher than that of KDP and 1.16 times higher than that of urea.