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通过蒽的温度依赖性溶剂化变色位移评估溶剂斯塔克效应。

Evaluating the Solvent Stark Effect from Temperature-Dependent Solvatochromic Shifts of Anthracene.

作者信息

Janz Timais, Güterbock Manuel, Müller Fabian, Quick Martin, Ioffe Ilya N, Bischoff Florian A, Kovalenko Sergey A

机构信息

Department of Chemistry, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, D-12489, Berlin, Germany.

Department of Chemistry, Lomonosov Moscow State University, Moscow, Russia.

出版信息

Chemphyschem. 2020 Apr 2;21(7):610-615. doi: 10.1002/cphc.202000010. Epub 2020 Feb 28.

DOI:10.1002/cphc.202000010
PMID:31990122
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7187296/
Abstract

The solvent Stark effect on the spectral shifts of anthracene is studied with temperature-dependent solvatochromic measurements. The Stark contribution Δv to the absorption shift Δv in polar solvents is measured to be Δv =(53±35) cm , in reasonable agreement with dielectric continuum theory estimate of 28 cm , whereas the major shift Δv ∼300 cm presumably originates from the solute quadrupole. We pay attention to the accurate correction of Δv for the nonpolar contribution that is crucial when the shifts are modest in magnitude.

摘要

通过温度依赖的溶剂化显色测量研究了溶剂斯塔克效应在蒽光谱位移上的影响。在极性溶剂中,斯塔克对吸收位移Δv的贡献Δv被测量为Δv =(53±35) cm,这与介电连续体理论估计的28 cm合理相符,而主要位移Δv ∼300 cm大概源于溶质四极矩。当位移幅度较小时,我们注重对非极性贡献的Δv进行精确校正,这一点至关重要。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/0764478d1d23/CPHC-21-610-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/fa13ac534209/CPHC-21-610-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/3d1933384d0c/CPHC-21-610-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/148ddbe5fa22/CPHC-21-610-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/0764478d1d23/CPHC-21-610-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/fa13ac534209/CPHC-21-610-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/3d1933384d0c/CPHC-21-610-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/148ddbe5fa22/CPHC-21-610-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3b12/7187296/0764478d1d23/CPHC-21-610-g004.jpg

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Benchmark theoretical study of the electric polarizabilities of naphthalene, anthracene, and tetracene.
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Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.扩展的多组态准简并微扰理论:多态多参考微扰理论的新方法。
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High-resolution laser spectroscopy on the S1<--S0 transition of jet-cooled anthracene: rotational structure and Stark effect.喷射冷却蒽的S1<--S0跃迁的高分辨率激光光谱:转动结构与斯塔克效应
J Chem Phys. 2007 Dec 14;127(22):224306. doi: 10.1063/1.2806184.