Evaluation of dipole moments of indole derivative (5-MPIC) by Solvatochromic shift method

Journal of Physics: Conference Series

article

Sulochana Devar¹  Vijayalaxmi Gangadharmath¹  N G Yernale²  B S Mathada³  Omnath Patil¹  S M Hanagodimath¹ 

[1] Department of Physics, Gulbarga University, Kalaburagi;Department of Chemistry, Guru Nanak First Grade College;PG Department of Chemistry, Organic Chemistry Research Lab, Vijaya College

关键词: Dipole moments;    Solvatochromic shift;    HOMO-LUMO;    MEP;    Indole derivative;   

DOI  :  10.1088/1757-899X/1272/1/012028

学科分类：物理（综合）

来源: Institute of Physics Publishing Ltd.

【 摘 要 】

The Solvatochromic technique was used to examine the solvent effects of ethyl 5-methyl-3 phenyl-1 H -indole 2-carboxylate [5-MPIC]. Different solvents were used to record 5-MPIC's absorption and emission spectra at room temperature (300 K). The ground state and excited state dipole moments were estimated experimentally using Lippert's, Bakshiev's and Kawaski Chamma Viallet's equations. The HOMO-LUMO gap and MEP map were also estimated theoretically by using B3LYP/6-31+G (d, p) basis set of Gaussian 16 w program. Dipole moments of excited states reveal a clear polarity difference between the ground and excited states.

【 授权许可】

Unknown