SN_2 Interactions in Substitution Reactions and Dissociative Electron Transfer

A. M. Kuznetsov

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SN_2 Interactions in Substitution Reactions and Dissociative Electron Transfer

机译：取代反应和解离电子转移中的SN_2相互作用

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A model of two interacting states for the SN_2-substitution reactions and dissociative electron transfer is considered. It takes into account both direct SN_2 effects which are due to the interaction between the bonded and nonbonded molecular modes and indirect SN_2 effect emerged from the Franck-Condon principle. Various SN_2 effects and the applicability of the Condon approximation are discussed. Equations for the transitional configuration and activation barrier in classical limit are derived for the adiabatic reaction with arbitrary form of the molecular potentials. A general scheme is illustrated by a simple example of the Morse/exponential molecular potentials, and simple algorithms are presented allowing one to plot the dependence of the activation barrier on the driving force using standard PC programs.

机译：考虑了两个相互作用状态的SN_2-取代反应和解离电子转移的模型。它同时考虑了由于键合和非键合分子模式之间的相互作用而引起的直接SN_2效应，以及兼顾了Franck-Condon原理的间接SN_2效应。讨论了各种SN_2效应和Condon逼近的适用性。对于具有任意形式的分子势的绝热反应，推导了经典极限下的过渡构型和活化势垒方程。通过摩尔斯/指数分子势的简单示例说明了一种通用方案，并给出了简单的算法，该算法允许使用标准PC程序绘制激活势垒对驱动力的依赖性。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |1999年第9期|共11页
作者
A. M. Kuznetsov;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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1. SN_2 Interactions in Substitution Reactions and Dissociative Electron Transfer [J] . A. M. Kuznetsov The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1999,第9期

机译：取代反应和解离电子转移中的SN_2相互作用
2. Effect of electron-electron correlations on the activation free energy of adiabatic electrochemical reactions of dissociative electron transfer [J] . Kuznetsov AM, Medvedev IG, Sokolov VV Russian journal of electrochemistry . 2005,第4期

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3. Electron Transfer and Chemical Reactions--Stepwise or Concerted? On the Competition between Nucleophilic Substitution and Electron Transfer [J] . Bcrnd Speiser Angewandte Chemie . 1996,第21期

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4. Effects of Amide-to-Ester Bond Substitution in the Peptide Backbone on the Cleavage Frequency in Electron Transfer Dissociation and Collision-Activated Dissociation [C] . Eva C. Osterlund, Hye Ryung Jung, Frank Kjeldsen American Society for Mass Spectrometry Conference on Mass Spectrometry and Allied Topics . 2010

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5. Studies in recombination and dissociation reactions for collisional energy transfer and electron transfer of nanocrystals and dye molecules. [D] . Zhu, Zhaoyan. 2012

机译：研究纳米晶体和染料分子的碰撞能量转移和电子转移的重组和解离反应。
6. Electron-paramagnetic-resonance measurements of the electron-transfer components of the reaction centre of Rhodopseudomonas viridis. Oxidation–reduction potentials and interactions of the electron acceptors [O] . A. William Rutherford, Peter Heathcote, Michael C. W. Evans 1979

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7. Studies in recombination and dissociation reactions for collisional energy transfer and electron transfer of nanocrystals and dye molecules [O] . Zhu Zhaoyan 2012

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8. Effect of Electrostatic Interactions on Electron-Transfer Reactions. [R] . Hickel, B. 1987

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SN_2 Interactions in Substitution Reactions and Dissociative Electron Transfer

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