光合作用動力學的電腦模擬

Computer Simulation on the Dynamics of the Early Events of Photosynthesis

林倫年(Michi-toshi Hayashi)

《化學》 55卷3期 (1997/06) Pp. 121-130

https://doi.org/10.6623/chem.1997040

摘要

在這閑文章中， 我們將介紹研究平衡及非平衡的電子轉移與能是轉移反應的理論方法。所討論的對象是光合細菌中能量轉移和電子轉移反應的變率常數。我們特別要強調的是多模態效應對轉移率常數的最要性，以及溫度的效應。基於密度矩陣法，我們可以模擬實驗上在光合作用反應中心所觀測的汲升一探測光譜。在模擬中，我們考慮了振動態居和同調性的動態與弛緩。我們分別展示了在強耦合和弱耦合的極限下的模擬結果。數據顯示，振動態之瞬時動態對時析光譜中早期性質的貢獻最顯著；且模擬的結果顯示反應中心的電子轉移是屬於弱電子態耦合的情形。

關鍵字

光合作用 ； 能盤轉移 ； 電子轉移 ； 振動弛緩 ； 同調性動力學

並列摘要

In this article, we shall present the theoretical treatment of both equilibrated and non equilibrated electron and energy transfer reactions. We discuss the rate constants of energy and electron transfer reactions occurring in photosynthetic bacteria. We would like to emphasis the importance of multi-mode effects on the rate constants and their temperature dependence. On the basis of the density matrix method, we construct the pump-probe stimulated emission spectra that have been observed experimentally for photosynthetic reaction centers. In the simulation, the vibrational population and coherence dynamics including their relaxation are taken into account. We demonstrate both strong and weak electronic coupling cases. We show the transient vibrational dynamics is a major contribution to the time-resolved spectra in its early time region for both cases. From our calculation, the electron transfer of RCs takes place under the weak electronic coupling case.

並列關鍵字

Photosynthesis ； Energy Transfer ； Electron Transfer ； Vibrational Relaxation ； Coherence Dynamics