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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...

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Principais autores: B. Shivaleela, G.G. Shivraj, S.M. Hanagodimath
Format: Artigo
Sprog:Inglês
Udgivet: Elsevier 2023-12-01
Serier:Results in Chemistry
Fag:
Solvatochromism
Dipole moment
MLR
TD-DFT
Molecular orbital etc
Online adgang:http://www.sciencedirect.com/science/article/pii/S2211715623002850
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