2021
DOI: 10.1149/2162-8777/ac10b6
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Combined Experimental and Theoretical Investigations on Structural, Spectroscopic, Electronic, and Nonlinear Optical Behaviour of N′-[(E)-(2,5-dimethoxyphenyl) methylidene]biphenyl-4-carbohydrazide Crystal

Abstract: The novel Schiff base hydrazones have exciting biological and nonlinear optical (NLO) applications. In our present work, a novel Schiff base hydrazone compound: N′-[(E)-(2,5-dimethoxyphenyl) methylidene] biphenyl-4-carbohydrazide(DMBC) was synthesized and subjected to FTIR characterization. Quantum chemical calculations were used to further interpret the observed FTIR spectrum quantitatively using potential energy distribution (PED). The geometry of DMBC was optimized using the density functional theory (DFT) … Show more

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