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温度对3B7D2HC - 2 - 酮分子在非极性、极性和极性非质子溶剂中旋转动力学的影响

Influence of Temperature on Rotational Dynamics of 3B7D2HC-2-one Molecule in Non-polar, Polar, and Polar Aprotic Solvents.

作者信息

Kumar Anil, Renuka C G

机构信息

Department of Physics, Government First Grade College, Sindhanur, 584128, India.

P.G. Studies and Department of Physics, Shri Siddeshwar Government First Grade College, Nargund, 582207, India.

出版信息

J Fluoresc. 2025 Apr;35(4):1979-1993. doi: 10.1007/s10895-024-03653-5. Epub 2024 Mar 11.

Abstract

Rotational dynamics of 3-(3H-2l4-benzo[c]isothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one (3B7D2HC-2-one) is studied using steady-state fluorescence depolarization and time-resolved fluorescence techniques in non-polar, polar and polar aprotic solvents by varying temperatures. Computational calculations are performed using Gaussian 09 software. Over the general solvatochromic method, an advanced thermochromic shift method is used to estimate dipole moments. Experiment rotational diffusion of 3B7D2HC-2-one in methanol indicates slow rotation over the other two solvents. Further, experiment rotational diffusion is analyzed using hydrodynamic and Quasi-hydrodynamic theories. The observed reorientation time follows the trend as predicted by quasi-hydrodynamic models.

摘要

通过改变温度,使用稳态荧光去极化和时间分辨荧光技术,在非极性、极性和极性非质子溶剂中研究了3-(3H-2,4-苯并[c]异噻唑-2-基)-7-(二乙氨基)-2H-色烯-2-酮(3B7D2HC-2-酮)的旋转动力学。使用高斯09软件进行计算。在一般溶剂化显色方法的基础上,采用一种先进的热致变色位移方法来估计偶极矩。3B7D2HC-2-酮在甲醇中的实验旋转扩散表明其旋转速度比其他两种溶剂慢。此外,使用流体动力学和准流体动力学理论对实验旋转扩散进行了分析。观察到的重取向时间遵循准流体动力学模型预测的趋势。

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