What question did this study set out to answer?

To determine the intrinsic gas-phase mechanism driving the formation and ultrafast luminescence decay of the anionic green fluorescent protein chromophore.

April 13, 2004Journal of the American Chemical Society

Origin, Nature, and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF Resolution

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To determine the intrinsic gas-phase mechanism driving the formation and ultrafast luminescence decay of the anionic green fluorescent protein chromophore.
Performed ab initio CASPT2//CASSCF relaxation path quantum chemical computations on the isolated anionic GFP chromophore in vacuo.
Fluorescent state production occurs via an initial totally symmetric relaxation mode forming a planar species, followed by decay driven by barrierless out-of-plane twisting of the phenyl ring.
Identified a space-saving hula-twist conical intersection lying 5 kcal mol(-1) above the fluorescent state, though direct hula-twist deformation is not the primary decay channel.

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Implication

Computational modeling reveals intrinsic barrierless phenyl twisting in isolated GFP fluorophore, indicating why fluorescence rapidly decays outside the protein cavity.

Cite This Study

Martín et al. (2004) studied this question.

synapsesocial.com/papers/6a8827b8bc5f9fd513bbf64f https://doi.org/10.1021/ja037278m

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Implication

Computational modeling reveals intrinsic barrierless phenyl twisting in isolated GFP fluorophore, indicating why fluorescence rapidly decays outside the protein cavity.

Origin, Nature, and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF Resolution

Key Points

Discussion

Implication

Cite This Study

Origin, Nature, and Fate of the Fluorescent State of the Green Fluorescent Protein Chromophore at the CASPT2//CASSCF Resolution

Key Points

Discussion

Implication

Cite This Study

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