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Role of non-Condon ...
Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein
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- Ai, Yue-Jie (author)
- KTH,Teoretisk kemi och biologi
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- Tian, Guangjun (author)
- KTH,Teoretisk kemi och biologi
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- Luo, Yi (author)
- KTH,Teoretisk kemi och biologi
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(creator_code:org_t)
- 2013-03-08
- 2013
- English.
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In: Molecular Physics. - : Informa UK Limited. - 0026-8976 .- 1362-3028. ; 111:9-11, s. 1316-1321
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- Two-photon absorption spectra of green fluorescent proteins (GFPs) often show a blue-shift band compared to their conventional one-photon absorption spectra, which is an intriguing feature that has not been well understood. We present here a systematic study on one- and two-photon spectra of GFP chromophore by means of the density functional response theory and complete active space self-consistent field (CASSCF) methods. It shows that the popular density functional fails to provide correct vibrational progression for the spectra. The non-Condon vibronic coupling, through the localised intrinsic vibrational modes of the chromophore, is responsible for the blue-shift in the TPA spectra. The cis to trans isomerisation can be identified in high-resolution TPA spectra. Our calculations demonstrate that the high level ab initio multiconfigurational CASSCF method, rather than the conventional density functional theory is required for investigating the essential excited-state properties of the GFP chromophore.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- non-Condon vibronic coupling
- two-photon absorption spectra
- green fluorescent proteins (GFP)
Publication and Content Type
- ref (subject category)
- art (subject category)
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