title: Photoabsorption of green and red fluorescent protein chromophore anions in vacuo.
abstract: Photoabsorption properties of green and red fluorescent protein chromophore anions in vacuo were investigated theoretically, based on the experimental results in gas phase [Phys. Rev. Lett. 2001, 87, 228102; Phys. Rev. Lett. 2003, 90, 118103]. Their calculated transition energies in absorption with TD-DFT and ZINDO methods are directly compared to the experimental reports in gas phase, and the calculations with ZINDO method can correctly reproduce the absorption spectra. The orientation and strength of their transition dipole moments were revealed with transition density. We also showed the orientation and result of their intramolecular charge transfer with transition difference density. The calculated results show that with the increase of the extended conjugated system, the orientation of transition dipole moments and the orientation of charge transfer can be reversed. They are the linear responds with the external electric fields. These theoretical results reveal the insight understanding of the photoinduced dynamics of green and red fluorescent protein chromophore anions and cations in vacuo.
authors.affiliation: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100080, PR China.
authors.forename: Songbo
authors.initials: S
authors.lastname: Wan
authors.forename: Shasha
authors.initials: S
authors.lastname: Liu
authors.forename: Guangjiu
authors.initials: G
authors.lastname: Zhao
authors.forename: Maodu
authors.initials: M
authors.lastname: Chen
authors.forename: Keli
authors.initials: K
authors.lastname: Han
authors.forename: Mengtao
authors.initials: M
authors.lastname: Sun
mesh_terms: D000042:Absorption; D000818:Animals; D000838:Anions / Q000737:chemistry; D049452:Green Fluorescent Proteins / Q000737:chemistry*; D008164:Luminescent Proteins / Q000737:chemistry*; D008956:Models, Chemical; D010777:Photochemistry; D000097573:Red Fluorescent Protein
chemical_list: D000838:Anions; D049452:Green Fluorescent Proteins; D008164:Luminescent Proteins; D000097573:Red Fluorescent Protein