Shuvalov Vladimir A
Institute of Basic Biological Problems, Russian Academy of Sciences, Pushchino Moscow Region, 142290, Russia.
Biochim Biophys Acta. 2007 Jun;1767(6):422-33. doi: 10.1016/j.bbabio.2007.02.002. Epub 2007 Feb 9.
It has been shown [V.A. Shuvalov, Quantum dynamics of electrons in many-electron atoms of biologically important compounds, Biochemistry (Mosc.) 68 (2003) 1333-1354; V.A. Shuvalov, Quantum dynamics of electrons in atoms of biologically important molecules, Uspekhi biologicheskoi khimii, (Pushchino) 44 (2004) 79-108] that the orbit angular momentum L of each electron in many-electron atoms is L=mVr=nPlanck's and similar to L for one-electron atom suggested by N. Bohr. It has been found that for an atom with N electrons the total electron energy equation E=-(Z(eff))(2)e(4)m/(2n(2)Planck's(2)N) is more appropriate for energy calculation than standard quantum mechanical expressions. It means that the value of L of each electron is independent of the presence of other electrons in an atom and correlates well to the properties of virtual photons emitted by the nucleus and creating a trap for electrons. The energies for elements of the 1st up to the 5th rows and their ions (total amount 240) of Mendeleev' Periodical table were calculated consistent with the experimental data (deviations in average were 5 x 10(-3)). The obtained equations can be used for electron dynamics calculations in molecules. For H(2) and H(2)(+) the interference of electron-photon orbits between the atoms determines the distances between the nuclei which are in agreement with the experimental values. The formation of resonance electron-photon orbit in molecules with the conjugated bonds, including chlorophyll-like molecules, appears to form a resonance trap for an electron with E values close to experimental data. Two mechanisms were suggested for non-barrier primary charge separation in reaction centers (RCs) of photosynthetic bacteria and green plants by using the idea of electron-photon orbit interference between the two molecules. Both mechanisms are connected to formation of the exciplexes of chlorophyll-like molecules. The first one includes some nuclear motion before exciplex formation, the second one is related to the optical transition to a charge transfer state.
[V.A. 舒瓦洛夫，《生物重要化合物多电子原子中电子的量子动力学》，《生物化学（莫斯科）》68 (2003) 1333 - 1354；V.A. 舒瓦洛夫，《生物重要分子原子中电子的量子动力学》，《生物化学进展（普希诺）》44 (2004) 79 - 108] 研究表明，多电子原子中每个电子的轨道角动量L为L = mVr = n普朗克常数，与N. 玻尔提出的单电子原子的L相似。研究发现，对于具有N个电子的原子，总电子能量方程E = -(Z(eff))²e⁴m/(2n²普朗克常数²N) 比标准量子力学表达式更适合用于能量计算。这意味着每个电子的L值与原子中其他电子的存在无关，并且与原子核发射的虚拟光子的性质密切相关，这些虚拟光子为电子创造了一个陷阱。计算了门捷列夫周期表中第1行到第5行元素及其离子（总共240种）的能量，与实验数据相符（平均偏差为5×10⁻³）。所得方程可用于分子中电子动力学的计算。对于H₂和H₂⁺，原子间电子 - 光子轨道的干涉决定了原子核之间的距离，这与实验值一致。在具有共轭键的分子（包括类叶绿素分子）中，共振电子 - 光子轨道的形成似乎为能量值接近实验数据的电子形成了一个共振陷阱。利用两个分子间电子 - 光子轨道干涉的概念，提出了光合细菌和绿色植物反应中心（RCs）中非屏障初级电荷分离的两种机制。这两种机制都与类叶绿素分子激基复合物的形成有关。第一种机制包括激基复合物形成前的一些核运动，第二种机制与向电荷转移态的光学跃迁有关。
