Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes,Accounts of Chemical Research

当前位置： X-MOL 学术 › Acc. Chem. Res. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2018-01-03 00:00:00 , DOI: 10.1021/acs.accounts.7b00442
Debasish Mandal ₁ , Dibyendu Mallick ₁ , Sason Shaik ₁

Affiliation

This Account outlines interplay of theory and experiment in the quest to identify the reactive-spin-state in chemical reactions that possess a few spin-dependent routes. Metalloenzymes and synthetic models have forged in recent decades an area of increasing appeal, in which oxometal species bring about functionalization of hydrocarbons under mild conditions and via intriguing mechanisms that provide a glimpse of Nature’s designs to harness these reactions. Prominent among these are oxoiron(IV) complexes, which are potent H-abstractors. One of the key properties of oxoirons is the presence of close-lying spin-states, which can mediate H-abstractions. As such, these complexes form a fascinating chapter of spin-state chemistry, in which chemical reactivity involves spin-state interchange, so-called two-state reactivity (TSR) and multistate reactivity (MSR).

中文翻译：

动力学同位素效应测定探讨了氧铁（IV）配合物氢提取反应中的过渡态自旋，其立体化学及其配体

该帐户概述了理论和实验的相互作用，以寻求识别具有一些自旋依赖性途径的化学反应中的反应性自旋态。在最近的几十年中，金属酶和合成模型已逐渐引起人们的关注，其中，金属氧化合物在温和的条件下并通过有趣的机制使碳氢化合物的功能化，从而使自然界可以利用这些反应进行设计。其中最突出的是oxoiron（IV）络合物，它们是有效的H吸收剂。含氧铁的主要特性之一是紧密自旋态的存在，其可以介导H的吸收。因此，这些络合物形成了一个有趣的自旋态化学章节，其中化学反应涉及自旋态交换，

更新日期：2018-01-03

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11