Renger Thomas
Institut für Chemie (Kristallographie), Freie Universität Berlin, Takustrasse 6, D-14195 Berlin, Germany.
Phys Rev Lett. 2004 Oct 29;93(18):188101. doi: 10.1103/PhysRevLett.93.188101. Epub 2004 Oct 26.
The influence of charge transfer states on the optical line shape of chromophore complexes is investigated in a minimal model that includes a coupling between an excited state and an optically dark charge transfer state. In the calculations of the absorption spectrum, an intensity borrowing by the charge transfer state, strong vibrational sidebands, and a temperature dependent shift of optical transitions are obtained. The theory is applied to the bacterial photosynthetic reaction center to explain a 30 nm blueshift of the low-energy absorption band with increasing temperature.
在一个包含激发态与光学暗电荷转移态之间耦合的最小模型中，研究了电荷转移态对发色团复合物光学线形的影响。在吸收光谱的计算中，得到了电荷转移态的强度借用、强振动边带以及光学跃迁的温度依赖性位移。该理论被应用于细菌光合反应中心，以解释随着温度升高，低能吸收带出现30纳米蓝移的现象。
