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COMPUTATIONAL AND SPECTRAL INSIGHTS INTO NLO POTENTIAL OFN’-[-4-(BENZYLOXY)BENZYLIDENE]-4-FLUOROANILINE
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Author(s):
SEEMA, VISHRUT CHAUDHARY, B.S YADAV
Vol - 16, Issue- 2 ,
Page(s) : 58 - 75
(2025 )
DOI : https://doi.org/10.32804/IRJMST
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Abstract
In this study, the optimized molecular structure, UV absorption analysis, HOMO-LUMO energies, and nonlinear optical (NLO) properties of N’-[4-(Benzyloxy)benzylidene]-4-fluoroaniline were investigated using Hartree-Fock (HF) and time-dependent density functional theory (TD-DFT) with the 6-311G and 6-311G basis sets.
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