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Estimation of dipole moments by Solvatochromic shift method, spectroscopic analysis of UV–Visible, HOMO-LUMO, ESP map, Mulliken atomic charges, NBO and NLO properties of benzofuran derivative

Solvatochromic shift method has been used to estimate ground state (μg) and excited state (μe) dipole moments of benzofuran derivative (5NFMOT) at room temperature in different solvents. This method involves Lippert, Bakhshiev and Kawski-Chamma-Viallet equations. Reichardt microscopic solvent polari...

Ausführliche Beschreibung

Gespeichert in:
Hauptverfasser: B. Shivaleela, G.G. Shivraj, S.M. Hanagodimath
Format: Artigo
Sprache:Inglês
Veröffentlicht: Elsevier 2023-12-01
Schriftenreihe:Results in Chemistry
Schlagworte:
Solvatochromism
Dipole moment
MLR
TD-DFT
Molecular orbital etc
Online-Zugang:http://www.sciencedirect.com/science/article/pii/S2211715623002850
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