Lewis Acidic PSbP Pincer Ligand in Pt-Catalyzed 1,6-Enyne Cycloisomerization: A Theoretical Study

Zhou, Miao-Miao1,2; Jiang, Bei-Lei3; Ni, Shao-Fei1,2; Dang, Li1,2,3

2019-08-02

10.1021/acs.joc.9b00794

JOURNAL OF ORGANIC CHEMISTRY   影响因子和分区

0022-3263

1520-6904

The progressively improved heterobimetallic antimony transition metal complex PSbP-Pt (I1) provides superior activity in catalyzed 1,6-enyne cycloisomerization. Our DFT calculations demonstrate that the noninnocent character of the antimony ligand enhances the self-activation of the catalyst precursor through a substrate-aided intramolecular chloride migration, which triggers subsequent reaction. Designed alternative redox noninnocent active species with strong electron-withdrawing groups also show promising catalytic ability due to an electron-deficient antimony ligand, which lowers the typical reaction barrier for the cycloisomerization of 1,6-enyne.

SCI ; EI

英语

通讯

National Natural Science Foundation of China[21573102]

Chemistry

Chemistry, Organic

WOS:000480370900003

AMER CHEMICAL SOC

20193407345066

Antimony compounds ; Catalysis ; Catalysts ; Chlorine compounds ; Isomerization ; Ligands ; Metal complexes ; Platinum compounds ; Transition metals

Metallurgy and Metallography:531 ; Physical Chemistry:801.4 ; Chemical Reactions:802.2 ; Chemical Agents and Basic Industrial Chemicals:803 ; Chemical Products Generally:804 ; Inorganic Compounds:804.2

CHEMISTRY

Web of Science

1.Shantou Univ, Dept Chem, Shantou 515063, Guangdong, Peoples R China
2.Shantou Univ, Key Lab Preparat & Applicat Ordered Struct Mat Gu, Shantou 515063, Guangdong, Peoples R China
3.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China

Zhou, Miao-Miao,Jiang, Bei-Lei,Ni, Shao-Fei,et al. Lewis Acidic PSbP Pincer Ligand in Pt-Catalyzed 1,6-Enyne Cycloisomerization: A Theoretical Study[J]. JOURNAL OF ORGANIC CHEMISTRY,2019,84(15):9454-9459.

Zhou, Miao-Miao,Jiang, Bei-Lei,Ni, Shao-Fei,&Dang, Li.(2019).Lewis Acidic PSbP Pincer Ligand in Pt-Catalyzed 1,6-Enyne Cycloisomerization: A Theoretical Study.JOURNAL OF ORGANIC CHEMISTRY,84(15),9454-9459.

Zhou, Miao-Miao,et al."Lewis Acidic PSbP Pincer Ligand in Pt-Catalyzed 1,6-Enyne Cycloisomerization: A Theoretical Study".JOURNAL OF ORGANIC CHEMISTRY 84.15(2019):9454-9459.