Abstract
A series of 4-aryl-3,4,6,7,8,9-hexahydro-1H-cyclohepta[d]pyrimidine-2(5H)-thiones were synthesized via the reaction of chalcone with thiourea using various processes such as heat, ultrasonic, and grinding approach. Because of its response simplicity, shortest reaction time, fewer contamination, and excellent product yields, the potential use of pyrimidine subsidiaries in natural combination is rapidly growing. The designs of the molecules were resolved using FT-IR, 1H NMR, and 13C NMR spectroscopy. The DFT B3LYP/6-31G (d,p) principle set was used to investigate the blended compound's sub-atomic structure. The NLO property of the synthesized compound was determined using hyperpolarizability values.
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