| 具有延长共轭的绿色发光蛋白生色团的反向溶剂化斯托克斯(Stokes)位移 |
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| 引用本文： | 胡航,CharlesH.Wolstenholme,张鑫,李晓松.具有延长共轭的绿色发光蛋白生色团的反向溶剂化斯托克斯(Stokes)位移[J].化学物理学报,2018,31(4):599-607. |
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| 作者姓名： | 胡航 CharlesH.Wolstenholme 张鑫 李晓松 |
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| 作者单位： | 美国华盛顿大学化学系, 西雅图 98195,美国宾夕法尼亚州立大学化学系, 宾夕法尼亚 16802,美国宾夕法尼亚州立大学化学系, 宾夕法尼亚 16802,美国华盛顿大学化学系, 西雅图 98195 |
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| 基金项目： | This work was supported by US National Science Foundation (CHE-1565520) to X. Li, Burroughs Wellcome Fund Career Award at the Scientific Interface to X. Zhang, Paul Berg Early Career Professorship to X. Zhang, Lloyd and Dottie Huck Early Career Award to X. Zhang, and the Sloan Research Fellowship to X. Zhang. This work was facilitated through the use of advanced computational, storage, and networking infrastructure provided by the Hyak supercomputer system and funded by the STF at the University of Washington and the National Science Foundation (MRI-1624430). |
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| 收稿时间： | 2018/6/26 0:00:00 |
Inverted Solvatochromic Stokes Shift in GFP-like Chromophores with Extended Conjugation |
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| Hang Hu,Charles H. Wolstenholme,Xin Zhang and Xiaosong Li.Inverted Solvatochromic Stokes Shift in GFP-like Chromophores with Extended Conjugation[J].Chinese Journal of Chemical Physics,2018,31(4):599-607. |
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| Authors: | Hang Hu Charles H Wolstenholme Xin Zhang and Xiaosong Li |
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| Institution: | Department of Chemistry, University of Washington, Seattle, WA 98195,Department of Chemistry, The Pennsylvania State University, University Park, PA 16802,Department of Chemistry, The Pennsylvania State University, University Park, PA 16802 and Department of Chemistry, University of Washington, Seattle, WA 98195 |
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| Abstract: | Chromophore structures inspired by natural green fluorescent protein (GFP) play an important role in the field of bio-imaging. In this work, photochemical properties of a new class of GFP-like chromophores are investigated using computational approaches. Thermodynamically stable isomers are identified in vacuum and in solvent. Spectral Stokes shifts are computed and compared to experiments. An inverted solvatochromic shift between absorption and emission emerging in this new class of GFP-like chromophores is observed, and attributed to the stabilized charge transfer and inhibited rotational structural reorganization in solvent. |
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| Keywords: | Green fluorescent protein Solvatochromic shift Stokes shift Time-dependent density functional theory Polarizable continuum model |
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