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溶剂对三种生物活性酰胺(C1、C2 和 C3)的吸收和荧光光谱的影响。通过溶剂极性参数的溶剂变色法估算基态和激发态偶极矩。

Solvent effect on absorption and fluorescence spectra of three biologically active carboxamides (C1, C2 and C3). Estimation of ground and excited state dipole moment from solvatochromic method using solvent polarity parameters.

机构信息

Department of Physics, B V B College of Engineering and Technology, Hubli 580031, Karnataka, India.

出版信息

J Fluoresc. 2011 May;21(3):1213-22. doi: 10.1007/s10895-010-0800-4. Epub 2011 Jan 21.

DOI:10.1007/s10895-010-0800-4
PMID:21253845
Abstract

The absorption and fluorescence spectra of three Carboxamides namely (E)-2-(4-Chlorobenzylideneamino)-N-(2-chlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(1)), (E)-N-(3-Chlorophenyl)-2-(3, 4-dimethoxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(2)) and (E)-N-(3-Chlorophenyl)-2-(3,4,5-trimethoxybenzylideneamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (C(3)) have been recorded at room temperature in solvents of different polarities using dielectric constant (ε) and refractive index (n). Experimental ground (μ(g)) and excited (μ(e)) state dipole moments are estimated by means of solvatochromic shift method and also the excited dipole moments are estimated in combination with ground state dipole moments. It was estimated that dipole moments of the excited state were higher than those of the ground state of all three molecules. Further, the changes in dipole moment (Δμ) were calculated both from solvatochromic shift method and on the basis of microscopic empirical solvent polarity parameter (E(N)(T)) and the values are compared.

摘要

在不同极性溶剂中,室温下记录了三种 Carboxamides(即(E)-2-(4-氯亚苄基氨基)-N-(2-氯苯基)-4,5,6,7-四氢苯并[b]噻吩-3-甲酰胺(C(1))、(E)-N-(3-氯苯基)-2-(3,4-二甲氧基亚苄基氨基)-4,5,6,7-四氢苯并[b]噻吩-3-甲酰胺(C(2))和(E)-N-(3-氯苯基)-2-(3,4,5-三甲氧基亚苄基氨基)-4,5,6,7-四氢苯并[b]噻吩-3-甲酰胺(C(3))的吸收和荧光光谱。使用介电常数(ε)和折射率(n)记录了在不同极性溶剂中的实验地面(μ(g))和激发(μ(e))状态偶极矩。通过溶剂色移法估算了实验激发态偶极矩,并结合实验基态偶极矩估算了激发态偶极矩。结果表明,所有三种分子的激发态偶极矩均高于基态偶极矩。此外,通过溶剂色移法和微观经验溶剂极性参数(E(N)(T))计算了偶极矩的变化(Δμ),并对其进行了比较。

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本文引用的文献

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Synthesis, photo-physical and DFT studies of ESIPT inspired novel 2-(2',4'-dihydroxyphenyl) benzimidazole, benzoxazole and benzothiazole.基于电子结构和激发态质子转移(ESIPT)的新型 2-(2',4'-二羟基苯基)苯并咪唑、苯并恶唑和苯并噻唑的合成、光物理和密度泛函理论研究。
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