Synthesis, experimental and computational characterizations of 8,9-dimethoxybenzo[b]naphtho[2,3-d] thiophene (DBNT) crystals for electro-mechano utilities

Abstract

Single crystals of organic non-linear optical material, 8,9-Dimethoxybenzo[b]naphtho[2,3-d] thiophene (DBNT) are need to grow as the titled crystals have thiophene, since thiophenes are having potential bio activity and industrial uses. The entitled specimen is well-grown by solution growth method and reported for the first time for computational and experimental study. Characterization of the crystals is made using single crystal X-ray diffraction and compared for the elucidation of structure of DBNT for bond parameters. The titled compound is having the chemical formula C18H14O2S. From the structure, the planar rings are properly identified. The crystal system of DBNT is monoclinic in nature and the space group is P21/n. The lattice constants are 13.0063 Å, 5.9632 Å and 18.3802 Å and β is 104.020° which is determined by XRD analysis. The non-linear optical - NLO characteristics of this material is analyzed and found to be utilized for opto-electronic gadgets and filters because of its nonlinearities and in experimental frequency doubling circuits. The composition of elements present in the grown specimen of DBNT crystal was theoretically and experimentally analyzed. The morphological effect of DBNT is analyzed and reported for the surfaces of crystal with magnifications and the dielectric behavior is studied properly for all polarizations and reported for entitled crystalline DBNT material, in mechano use by preloading data as coated DBNT. The dielectric and crystalline nature of the specimen is by electrical correlation and the thin film influx refers the proper grown confirmation of the DBNT and encompasses the filter usage exclusively of opto-electronic way.