Comprehensive analysis of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (4CP4MPO): Synthesis, Spectroscopic, salvation electronic properties, electron-hole transition, topological, Hirshfeld surface and molecular docking analysis

Comprehensive analysis of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (4CP4MPO): Synthesis, Spectroscopic, salvation electronic properties, electron-hole transition, topological, Hirshfeld surface and molecular docking analysis

The investigation into a prospective pharmaceutical chalcone derivative employs a comprehensive methodology, integrating theoretical and empirical analyses. Rigorous scrutiny of the compound's distinct attributes is conducted through FT-IR, NMR and UV–Vis spectroscopy. Utilizing Density Functio...

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Bibliographic Details
Main Authors: PR. Buvaneswari, M. Simon Jeya Sunder Raj, K. Sudha, T. Aravind, P. Chakkaravarthy, M. Raja
Format: Article
Language:English
Published: Elsevier 2024-06-01
Series:Chemical Physics Impact
Subjects:
DFT
Electronic properties
Chemical reactivity
Topological analysis
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022423002918

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http://www.sciencedirect.com/science/article/pii/S2667022423002918

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