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Role of non-Condon ...
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Ai, Yue-JieKTH,Teoretisk kemi och biologi
(författare)
Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein
- Artikel/kapitelEngelska2013
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2013-03-08
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Informa UK Limited,2013
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LIBRIS-ID:oai:DiVA.org:kth-122173
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-122173URI
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https://doi.org/10.1080/00268976.2013.771800DOI
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Språk:engelska
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Sammanfattning på:engelska
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Ämneskategori:art swepub-publicationtype
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QC 20130930
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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.
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Tian, GuangjunKTH,Teoretisk kemi och biologi(Swepub:kth)u13a4y32
(författare)
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Luo, YiKTH,Teoretisk kemi och biologi(Swepub:kth)u126eitw
(författare)
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KTHTeoretisk kemi och biologi
(creator_code:org_t)
Sammanhörande titlar
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Ingår i:Molecular Physics: Informa UK Limited111:9-11, s. 1316-13210026-89761362-3028
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