Multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H activation without carboxylate assistance: a computational study

Xie Peipei; Guo Wei; Chen DimeiXia Yuanzhi

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Multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H activation without carboxylate assistance: a computational study

机译：多个通路阳离子的碳氢键的乳沟Cp * Rh (iii)催化的碳氢键活化羧酸盐的援助:一个计算研究

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摘要

DFT calculations uncovered multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H functionalization of different precursors under carboxylate-free conditions, in which the heteroatom-containing solvent, reactant, product, or even trace water could be possibly involved as a proton acceptor, assisting the C-H bond cleavage via an outer sphere CMD transition state.

机译：DFT计算发现了多个路径碳氢键乳沟在阳离子Cp * Rh (iii)催化碳氢键功能化的前兆carboxylate-free条件,heteroatom-containing溶剂、反应物、产品甚至微量的水可以可能涉及一个质子受体,协助碳氢键乳沟通过外球面CMD过渡状态。

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来源
《Catalysis science & technology》 |2018年第16期|4005-4009|共5页
作者
Xie Peipei; Guo Wei; Chen DimeiXia Yuanzhi;
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作者单位

Wenzhou Univ, Coll Chem & Mat Engn, Wenzhou 325035, Peoples R China;

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原文格式 PDF
正文语种英语
中图分类汉语教学;
关键词
Chédiak-Higashi cell; carboxylates; Bond cleavageCations;

机译：庞德Chédiak-Higashi cell;氟;cleavageCations;

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机译：通过氧化还原中性CP * RH（III）通过氧化芳烃中性CP * RH（III）的六溴苯基生物碱的核心结构的核心结构 - 催化烯烃的C-H / N-H环催化与苯甲酰胺
2. Aerobic Oxidative C-H Olefination of Arylamides with Unactivated Olefins via a Rh(III)-Catalyzed C-H Activation [J] . Jambu Subramanian, Shambhavi Chikkabagilu Nagaraju, Jeganmohan Masilamani Organic letters . 2021,第8期

机译：通过RH（III）通过RH（III）的芳基酰胺的有氧氧化C-H烯烃 - 通过RH（III） - 催化的C-H活化
3. Mechanistic studies of Cp*lr(Ⅲ)/Cp*Rh(Ⅲ)-catalyzed branch-selective allylic C-H amidation:why is Cp*lr(Ⅲ) superior to Cp*Rh(Ⅲ)? [J] . Nan Ma, Zheyuan Liu, Jianhui Huang, Organic & biomolecular chemistry . 2021,第17期

机译：CP * LR（Ⅲ）/ CP * RH（Ⅲ）的机械研究 - 催化分支 - 选择性烯丙基C-H酰胺：为什么CP * LR（Ⅲ）优于CP * RH（Ⅲ）？
4. Chiral Counterion-Directed Cp*Rh(III)-Catalysis for Asymmetric Conjugate Addition of 2-Phenylpyridines via C-H Activation [C] . Shun Satake, Takumaru Kurihara, Keisuke Nishikawa 日本化学会春季年会講演予稿集 . 2018

机译：手性反击定向CP * RH（III） - 通过C-H激活加入2-苯基吡啶的不对称缀合物的催化分析
5. Stereoselective Multicomponent Transformations Facilitated By Rh(III)- and Co(III)- Catalyzed C-H Bond Functionalization [D] . Boerth, Jeffrey Adam. 2018

机译：Rh（III）-和Co（III）-催化的C-H键官能化促进的立体选择性多组分转化
6. Cp*Co(III)-Catalyzed C–H Hydroarylation ofAlkynes and Alkenes and Beyond: A Versatile Synthetic Tool [O] . Asier Carral-Menoyo, Nuria Sotomayor, *, 2020

机译：CP * CO（III） - 催化C-H水合物炔烃和alkenes及以外：多功能合成工具
7. Rhodium(III)-Catalyzed C-H Activation and Amidation of Arenes Using N-Arenesulfonated Imides as Amidating Reagents [O] . Yu Songjie, Wan Boshun, Li Xingwei 2013

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Multiple pathways for C-H cleavage in cationic Cp*Rh(iii)-catalyzed C-H activation without carboxylate assistance: a computational study

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