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溶剂对HNP电子吸收光谱和荧光光谱的影响:基态和激发态偶极矩的估算

Solvent Effects on the Electronic Absorption and Fluorescence Spectra of HNP: Estimation of Ground and Excited State Dipole Moments.

作者信息

Desai Vani R, Hunagund Shirajahammad M, Basanagouda Mahantesha, Kadadevarmath Jagadish S, Sidarai Ashok H

机构信息

Department of Studies in Physics, Karnatak University, Dharwad, Karnataka, 580003, India.

P. G. Department of Studies in Chemistry, K. L. E. Society's P. C. Jabin Science College, Hubli, Karnataka, 580031, India.

出版信息

J Fluoresc. 2016 Jul;26(4):1391-400. doi: 10.1007/s10895-016-1830-3. Epub 2016 May 25.

DOI:10.1007/s10895-016-1830-3
PMID:27220623
Abstract

We report the effect of solvents on absorption and fluorescence spectra of biologically active 3(2H)-pyridazinone namely 5-(2-hydroxy-naphthalen-1-yl)-2-phenyl-2H-pyridazin-3-one (HNP) in different solvents at room temperature. The ground and the excited state dipole moments of HNP molecule was estimated from Lippert's, Bakshiev's and Kawski-Chamma-Viallet's equations using the solvatochromic shift method. The ground state dipole moment (μ g ) was also estimated by Guggenheim and Higasi method using the dielectric constant and refractive index of solute at different concentrations, the μ g value obtained from these two methods are comparable to the μ g value obtained by the solvatochromic shift method. The excited state dipole moment (μ e ) is greater than the ground state dipole moment (μ g ), which indicates that the excited state is more polar than the ground state. Further, we have evaluated the change in dipole moment (Δμ) from the solvatochromic shift method and on the basis of molecular-microscopic solvent polarity parameter[Formula: see text], later on the values were compared.

摘要

我们报道了在室温下,溶剂对具有生物活性的3(2H)-哒嗪酮即5-(2-羟基萘-1-基)-2-苯基-2H-哒嗪-3-酮(HNP)在不同溶剂中的吸收光谱和荧光光谱的影响。使用溶剂化显色位移法,根据Lippert方程、Bakshiev方程和Kawski-Chamma-Viallet方程估算了HNP分子的基态和激发态偶极矩。还使用Guggenheim和Higasi方法,根据不同浓度下溶质的介电常数和折射率估算了基态偶极矩(μg),通过这两种方法获得的μg值与通过溶剂化显色位移法获得的μg值相当。激发态偶极矩(μe)大于基态偶极矩(μg),这表明激发态比基态具有更高的极性。此外,我们根据溶剂化显色位移法评估了偶极矩的变化(Δμ),并基于分子微观溶剂极性参数[公式:见原文]进行评估,随后对这些值进行了比较。

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