Estimation of Ground State and Excited State Dipole Moments of (5-Amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone

Q4 Chemistry Asian Journal of Chemistry Pub Date : 2024-07-25 DOI:10.14233/ajchem.2024.31661
Dayanand Lalasangi, S. Hanagodimath, Mangesh S. Jadhav, Tairabi Khanadal, B. Padmashali
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Abstract

The fluorescence and absorption properties of (5-amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone were studied at room temperature in 15 solvents with dissimilar polarities. The impacts of solvent and GCRD parameters on the properties of the spectra are discussed. By utilizing the Gaussian 09 program, the ground-state dipole moments (µg) were have been measured experimentally and compared with theoretical values. After determining the ground-state dipole moments, the Kawski-Chamma-Viallet, Bakhshiev and Lippert equations were utilized to calculate the exciterted-state dipole moments (µe). It was observed that µe has been greater than the ground state for the dye. In this work, the impact of solvent on the absorption and emission spectra of (5-amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone was computed and estimated their dipole moments. For every molecule studied, there was a substantial change in the Stokes shift values increasing polarity.
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(5-氨基-1-苯基吲哚嗪-3-基)(4-甲氧基苯基)甲酮的基态和激发态偶极矩估计
研究了室温下在 15 种极性不同的溶剂中 (5-amino-1-phenylindolizin-3-yl)(4-methoxyphenyl)methanone 的荧光和吸收特性。讨论了溶剂和 GCRD 参数对光谱特性的影响。利用高斯 09 程序,实验测量了基态偶极矩 (µg),并与理论值进行了比较。确定基态偶极矩后,利用 Kawski-Chamma-Viallet、Bakhshiev 和 Lippert 方程计算激发态偶极矩 (µe)。结果表明,染料的 µe 大于基态。在这项工作中,计算了溶剂对(5-氨基-1-苯基吲哚嗪-3-基)(4-甲氧基苯基)甲酮的吸收和发射光谱的影响,并估算了它们的偶极矩。对于所研究的每种分子,极性越大,斯托克斯偏移值的变化就越大。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Asian Journal of Chemistry
Asian Journal of Chemistry 化学-化学综合
CiteScore
0.80
自引率
0.00%
发文量
229
审稿时长
4 months
期刊介绍: Information not localized
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