Spectroscopic, optical, electronic and NLO characteristics of long chain tosyloxy based chalcone derivative: a quantum chemical approach

Abstract This study presents a comprehensive computational investigation of “4- [(1E)-3-(4-chlorophenyl)-3-oxoprop-1-en-1-yl]phenyl 4-methyl benzene-1-sulfonate” (COP) molecule. Key parameters explored include the geometric optimized structure, spectroscopic, vibrational modes, natural bond orbital...

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Bibliographic Details
Main Authors: Vinay Parol, K. S. Pavithra, G. H. Pujar, Santhosh Kumar M. V, M. R. Jagadeesh
Format: Article
Language:English
Published: Springer 2025-08-01
Series:Discover Chemistry
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Online Access:https://doi.org/10.1007/s44371-025-00257-1
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