Nonequilibrium thermodynamics formalism for Marcus theory of heterogeneous and self-exchange electron-transfer rate constants

Sethi R; Sangaranarayanan MV

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Nonequilibrium thermodynamics formalism for Marcus theory of heterogeneous and self-exchange electron-transfer rate constants

机译：Marcus异质和自交换电子传输速率常数的非平衡热力学形式论

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The cross-exchange electron-transfer rate constant expression of Marcus is derived from the Flux-force formalism of non-equilibrium thermodynamics. The relationship governing the Onsager's phenomenological coefficients for cross-exchange and self-exchange electron-transfer processes is deduced. Onsager's phenomenological coefficient pertaining to the Butler-Volmer equation is derived and estimated from the experimental exchange current densities. The correlation between the heterogeneous and the homogeneous electron-transfer rate constants derived by Marcus is analyzed in terms of the corresponding phenomenological coefficients.

机译：Marcus的交叉交换电子传递速率常数表达源自非平衡热力学的通量力形式。推导了用于交换和自交换电子转移过程的Onsager现象学系数的关系。从实验交换电流密度推导并估计了与Butler-Volmer方程有关的Onsager现象学系数。根据相应的现象学系数分析了由Marcus推导的异质和均匀电子传输速率常数之间的相关性。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2008年第18期|共6页
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Sethi R; Sangaranarayanan MV;
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正文语种 eng
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KINETICS; TEMPERATURE;

机译：运动学;温度;

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1. Nonequilibrium thermodynamics formalism for Marcus theory of heterogeneous and self-exchange electron-transfer rate constants [J] . Sethi R, Sangaranarayanan MV The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2008,第18期

机译：Marcus异质和自交换电子传输速率常数的非平衡热力学形式论
2. Marcus theory for outer-sphere heterogeneous electron transfer: Predicting electron-transfer rates for quinones [J] . Rees NV, Clegg AD, Klymenko OV, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2004,第34期

机译：Marcus外层非均质电子转移理论：预测醌的电子转移速率
3. Marcus theory of outer-sphere heterogeneous electron transfer reactions: High precision steady-state measurements of the standard electrochemical rate constant for ferrocene derivatives in alkyl cyanide solvents [J] . Clegg AD, Rees NV, Klymenko OV, Journal of Electroanalytical Chemistry: An International Journal Devoted to All Aspects of Electrode Kinetics, Interfacial Structure, Properties of Electrolytes, Colloid and Biological Electrochemistry . 2005,第1期

机译：Marcus外球异质电子转移反应理论：烷基氰化物溶剂中二茂铁衍生物的标准电化学速率常数的高精度稳态测量
4. Physics of hole trapping process in high-k gate stacks: A direct simulation formalism for the whole interface system combining density-functional theory and Marcus theory [C] . Yue-Yang Liu, Xiangwei Jiang IEEE International Electron Devices Meeting . 2018

机译：高k栅堆叠中空穴陷阱过程的物理学：结合密度泛函和Marcus理论的整个界面系统的直接模拟形式
5. Protonation studies and the determination of self-exchange electron transfer rate constants using NMR spectroscopy for selected complexes of copper(II/I). [D] . Juntunen, Kerri Lynn. 1992

机译：质子学研究和使用NMR光谱法对选定的铜（II / I）配合物进行自交换电子传递速率常数的确定。
6. The analysis of rate limitation within enzymes: relations between flux control coefficients of rate constants and unidirectional rates rate constants and thermodynamic parameters of single isolated enzymes. [O] . G C Brown, C E Cooper 1994

机译：酶中速率限制的分析：速率常数和单向速率的通量控制系数单个分离的酶的速率常数和热力学参数之间的关系。
7. Theory for electron-transfer reactions involving two Marcus surfaces with a different force constant [O] . Jau Tang 1994

机译：电子转移反应理论涉及两个具有不同力常数的马库斯表面
8. Activation Parameters for Homogeneous Outer-Sphere Electron-Transfer Reactions. Comparisons between Self-Exchange and Cross Reactions Using Marcus' Theory [R] . Weaver, M. J., Yee, E. L. 1979

机译：均相外球电子转移反应的活化参数。利用马库斯理论比较自我交换与交叉反应

Nonequilibrium thermodynamics formalism for Marcus theory of heterogeneous and self-exchange electron-transfer rate constants

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