Theory of coupled electron and proton transfer reactions.
作者信息
Hammes-Schiffer Sharon, Stuchebrukhov Alexei A
机构信息
Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802, USA.
出版信息
Chem Rev. 2010 Dec 8;110(12):6939-60. doi: 10.1021/cr1001436. Epub 2010 Nov 4.
Abstract
摘要
相似文献
1
Theory of coupled electron and proton transfer reactions.电子与质子转移耦合反应理论
Chem Rev. 2010 Dec 8;110(12):6939-60. doi: 10.1021/cr1001436. Epub 2010 Nov 4.
2
Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions.氢化物、氢原子和质子耦合电子转移反应的比较。
Chemphyschem. 2002 Jan 18;3(1):33-42. doi: 10.1002/1439-7641(20020118)3:1<33::AID-CPHC33>3.0.CO;2-6.
3
Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions.非绝热质子耦合电子转移反应中质子供体-受体振动运动的量子和动力学效应。
J Chem Phys. 2005 Jan 1;122(1):14505. doi: 10.1063/1.1814635.
4
Theoretical perspectives on proton-coupled electron transfer reactions.质子耦合电子转移反应的理论观点。
Acc Chem Res. 2001 Apr;34(4):273-81. doi: 10.1021/ar9901117.
5
Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms.苯氧基/苯酚和苄基/甲苯自交换反应的振动电子耦合计算：对质子耦合电子转移机制的影响
J Am Chem Soc. 2006 Dec 27;128(51):16655-63. doi: 10.1021/ja0656548.
6
Controlling Electrons and Protons through Theory: Molecular Electrocatalysts to Nanoparticles.通过理论控制电子和质子：从分子电催化剂到纳米粒子
Acc Chem Res. 2018 Sep 18;51(9):1975-1983. doi: 10.1021/acs.accounts.8b00240. Epub 2018 Aug 15.
7
Study of ring influence and electronic response to proton transfer reactions. Reaction electronic flux analysis.环影响和质子转移反应的电子响应研究。反应电子通量分析。
J Mol Model. 2011 May;17(5):1051-60. doi: 10.1007/s00894-010-0802-9. Epub 2010 Jul 25.
8
Theory of the transition from sequential to concerted electrochemical proton-electron transfer.从顺序到协同电化学质子-电子转移的理论。
Phys Chem Chem Phys. 2013 Feb 7;15(5):1399-407. doi: 10.1039/c2cp42369c.
9
A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity.电子转移反应、异构化反应、质子转移反应和芳香性的统一非绝热描述。
Phys Chem Chem Phys. 2015 Oct 14;17(38):24598-617. doi: 10.1039/c5cp02236c.
10
Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: sequential, concerted, and complex branching mechanisms.光诱导质子耦合电子转移过程中随机溶剂动力学的多维处理：顺序、协同和复杂分支机制。
J Chem Phys. 2011 Oct 14;135(14):144115. doi: 10.1063/1.3651083.
引用本文的文献
1
Multiple Catalytic Branch Points in the Mechanism of Pyrrolidine Formation During Kainoid Biosynthesis Leads to Diverse Reaction Outcomes.在红藻氨酸生物合成过程中吡咯烷形成机制中的多个催化分支点导致了多样的反应结果。
J Am Chem Soc. 2025 Aug 20;147(33):29961-29969. doi: 10.1021/jacs.5c07226. Epub 2025 Aug 5.
2
Nb-Dopant Changes the Regioselectivity of Proton-Coupled Electron Transfer in a Polyoxovanadate-Alkoxide.铌掺杂改变了多金属氧钒酸盐-醇盐中质子耦合电子转移的区域选择性。
JACS Au. 2025 Jun 12;5(7):3433-3443. doi: 10.1021/jacsau.5c00482. eCollection 2025 Jul 28.
3
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics.非绝热动力学中分子基准的路线图
J Phys Chem A. 2025 Aug 7;129(31):7023-7050. doi: 10.1021/acs.jpca.5c02171. Epub 2025 Jul 15.
4
Iridium Polypyridyl Carboxylates as Excited-State PCET Catalysts for the Functionalization of Unactivated C-H Bonds.铱多吡啶羧酸盐作为未活化C-H键官能化的激发态质子耦合电子转移催化剂。
J Am Chem Soc. 2025 Jun 18;147(24):20703-20715. doi: 10.1021/jacs.5c04000. Epub 2025 Jun 10.
5
The Characteristically Slow Proton Transfer Coupled to Platinum Oxidation in Alkaline Polyelectrolyte as Elucidated at the Molecular Level.在分子水平上阐明的碱性聚电解质中与铂氧化耦合的典型缓慢质子转移
ACS Cent Sci. 2025 Apr 30;11(5):791-796. doi: 10.1021/acscentsci.5c00124. eCollection 2025 May 28.
6
Role of Hydrogen Transfer in Functional Molecular Materials and Devices.氢转移在功能性分子材料与器件中的作用。
Precis Chem. 2025 Mar 11;3(5):233-260. doi: 10.1021/prechem.4c00097. eCollection 2025 May 26.
7
Coupling between electrons' spin and proton transfer in chiral biological crystals.手性生物晶体中电子自旋与质子转移之间的耦合。
Proc Natl Acad Sci U S A. 2025 May 13;122(19):e2500584122. doi: 10.1073/pnas.2500584122. Epub 2025 May 8.
8
Explaining Kinetic Isotope Effects in Proton-Coupled Electron Transfer Reactions.解释质子耦合电子转移反应中的动力学同位素效应。
Acc Chem Res. 2025 Apr 15;58(8):1335-1344. doi: 10.1021/acs.accounts.5c00119. Epub 2025 Apr 4.
9
Evidence for Competing Proton-Coupled Reaction Pathways of Molecular Triads in a Low-Polarity Solvent.低极性溶剂中分子三元组竞争质子耦合反应途径的证据。
J Phys Chem A. 2025 Feb 20;129(7):1792-1800. doi: 10.1021/acs.jpca.4c05734. Epub 2025 Feb 6.
10
Reactivity of a heterobinuclear heme-peroxo-Cu complex with -substituted catechols shows a p -dependent change in mechanism.一种异双核血红素-过氧-铜配合物与对位取代儿茶酚的反应性显示出反应机理随p的依赖性变化。
Chem Sci. 2024 Dec 30;16(5):2402-2412. doi: 10.1039/d4sc05623j. eCollection 2025 Jan 29.
本文引用的文献
1
Long-Distance Electron Tunneling in Proteins: A New Challenge for Time-Resolved Spectroscopy.
Laser Phys. 2010 Jan;20(1):125-138. doi: 10.1134/S1054660X09170186.
2
Theoretical Studies of Proton-Coupled Electron Transfer: Models and Concepts Relevant to Bioenergetics.质子耦合电子转移的理论研究：与生物能量学相关的模型和概念
Coord Chem Rev. 2008 Feb 1;252(3-4):384-394. doi: 10.1016/j.ccr.2007.07.019.
3
Role of solvent dynamics in ultrafast photoinduced proton-coupled electron transfer reactions in solution.溶剂动力学在溶液中超快光诱导质子耦合电子转移反应中的作用。
J Phys Chem B. 2010 Sep 30;114(38):12319-32. doi: 10.1021/jp1051547.
4
Photoinduced homogeneous proton-coupled electron transfer: model study of isotope effects on reaction dynamics.光诱导均相质子耦合电子转移：反应动力学同位素效应的模型研究。
J Chem Phys. 2009 Oct 21;131(15):154502. doi: 10.1063/1.3249964.
5
Impact of distal mutation on hydrogen transfer interface and substrate conformation in soybean lipoxygenase.大豆脂氧合酶中远端突变对氢转移界面和底物构象的影响。
J Phys Chem B. 2010 May 20;114(19):6653-60. doi: 10.1021/jp100133p.
6
Inserting a hydrogen-bond relay between proton exchanging sites in proton-coupled electron transfers.在质子耦合电子转移的质子交换位点之间插入一个氢键中继体。
Angew Chem Int Ed Engl. 2010 May 17;49(22):3803-6. doi: 10.1002/anie.200907192.
7
Electrochemical proton-coupled electron transfer of an osmium aquo complex: theoretical analysis of asymmetric tafel plots and transfer coefficients.电化学质子耦合电子转移的锇水络合物：非对称塔菲尔图和转移系数的理论分析。
J Am Chem Soc. 2010 Feb 3;132(4):1234-5. doi: 10.1021/ja910277p.
8
The diabatic picture of electron transfer, reaction barriers, and molecular dynamics.电子转移、反应势垒和分子动力学的非绝热图景。
Annu Rev Phys Chem. 2010;61:149-70. doi: 10.1146/annurev.physchem.012809.103324.
9
Theory of proton-coupled electron transfer in energy conversion processes.质子耦合电子转移理论在能量转换过程中的应用。
Acc Chem Res. 2009 Dec 21;42(12):1881-9. doi: 10.1021/ar9001284.
10
Driving force dependence of rates for nonadiabatic proton and proton-coupled electron transfer: conditions for inverted region behavior.非绝热质子和质子耦合电子转移速率的驱动力依赖性：反转区域行为的条件。
J Phys Chem B. 2009 Nov 5;113(44):14545-8. doi: 10.1021/jp907808t.
Zotero 插件