TY - JOUR
T1 - Inverted solvatochromic Stokes shift in GFP-like chromophores with extended conjugation
AU - Hu, Hang
AU - Wolstenholme, Charles H.
AU - Zhang, Xin
AU - Li, Xiaosong
N1 - Funding Information:
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).
Publisher Copyright:
© 2018 Chinese Physical Society.
PY - 2018/8/1
Y1 - 2018/8/1
N2 - 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. 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.
AB - 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. 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.
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U2 - 10.1063/1674-0068/31/cjcp1806160
DO - 10.1063/1674-0068/31/cjcp1806160
M3 - Article
AN - SCOPUS:85054002559
SN - 1003-7713
VL - 31
SP - 584
EP - 594
JO - Chinese Journal of Chemical Physics
JF - Chinese Journal of Chemical Physics
IS - 4
ER -