Coordination structure dominated performance of single-atomic Pt catalyst for anti-Markovnikov hydroboration of alkenes

作     者：Qi Xu ChenXi Guo Shubo Tian Tian Zhang Wenxing Chen Weng-Chon Cheong Lin Gu Lirong Zheng Jianping Xiao Qiang Liu Bijie Li Dingsheng Wang Yadong Li 徐琪;郭辰曦;田书博;张剑;陈文星;张永臻;谷林;郑黎荣;肖建平;刘强;李必杰;王定胜;李亚栋

作者机构：Department of ChemistryTsinghua UniversityBeijing 100084China State Key Laboratory of CatalysisDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green ApplicationsSchool of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing National Laboratory for Condensed Matter PhysicsInstitute of PhysicsChinese Academy of SciencesBeijing 100190China Beijing Synchrotron Radiation FacilityInstitute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China 

基　　金：This work was supported by the National Key R&D Program of China(2018YFA0702003) the National Natural Science Foundation of China(21890383,21671117,21871159 and 21901135) 

出 版 物：《Science China Materials》 (中国科学（材料科学（英文版）)

年 卷 期：2020年第63卷第6期

页      码：972-981页

摘      要：The rational design of efficient single-atomic(SA)catalysts is essential and highly desirable but impeded by the lack of sufficient acknowledge between structure and *** this end,it is critical to clarify the effect of the coordination structure of active metal centers on the catalytic activities for the design of such ***,we report that different coordination structures of SA Pt catalysts can dramatically influence their activities for anti-Markovnikov hydroboration of *** with the other two coordination structures(Pt-N4 and Pt-O2),the SA Pt species coordinated with three O atoms(Pt-O3)display the highest turnover number value of 3288 for the hydroboration reaction to access the important alkylboronic *** functional theory calculations reveal that a superior catalytic activity can be expected for alkene hydroboration over the three O coordinated Pt species due to the lowest reaction energy(ΔG)limiting step from the reaction phase diagram.

主 题 词：single-atomic Pt catalyst coordination structure anti-Markovnikov hydroboration of alkenes DFT calculations 

学科分类：081705[081705] 08[工学] 0817[工学-轻工类] 

核心收录：

D　O　I：10.1007/s40843-020-1334-6

馆 藏 号：203930443...