期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 2, 期 5, 页码 488-492出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz101616g
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资金
- National Science Foundation through the CRIF:CRF [CHE-0625419 + 0624602 + 0625237, CHE-0951634]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0951634] Funding Source: National Science Foundation
We report calculations of one and two photon absorption (OPA and TPA, respectively) spectra Of the green fluorescent protein (GFP) chromophore using the double-harmonic parallel-mode approximation and including explicit dependence of the electronic transition moments on nuclear geometry. The non-Condon effects are found to be more significant for TPA resulting in a different shape of the spectra and a blue shift of 500 cm(-1) of the TPA peak absorption relative to OPA. The computed shift is in excellent agreement with the experimentally observed 700 cm(-1).
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