Inverted Solvatochromic Stokes Shift in GFP-like Chromophores with Extended Conjugation  

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（英文）

作　　者：Hang Hu Charles H.Wolstenholme Xin Zhang Xiaosong Li 胡航;Charles H.Wolstenholmeb;张鑫;李晓松(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)

机构地区：[1]Department of Chemistry,University of Washington,Seattle,WA 98195 [2]Department of Chemistry,The Pennsylvania State University,University Park,PA 15802

出　　处：《Chinese Journal of Chemical Physics》2018年第4期599-607,616,共10页化学物理学报（英文）

基　　金：supported by US National Science Foundation(CHE-1565520) to X. Li;funded by the STF at the University of Washington;the National Science Foundation (MRI-1624430).

摘　　要：Chrornophore structures inspired by natural green fluorescent protein （GFP） play an im- portant role in the field of bio-irnaging. In this work, photochemical properties of a new class of GFP-like chromophores are investigated using computational approaches. Thermo- dynamically 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.

关 键 词：Green fluorescent protein Solvatochrornic shift Stokes shift Time-dependentdensity functional theory Polarizable continuum model 

分 类 号：TQ931[化学工程]