Photoabsorption of green and red fluorescent protein chromophore anions in vacuo.
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.
Wan
Songbo
S
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100080, PR China.
Liu
Shasha
S
Zhao
Guangjiu
G
Chen
Maodu
M
Han
Keli
K
Sun
Mengtao
M
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
D000838:Anions; D049452:Green Fluorescent Proteins; D008164:Luminescent Proteins; D000097573:Red Fluorescent Protein