Computational investigation of cyclic substituted iodine(III) halogen bond donors

被引：9

作者：

Robidas, Raphael ^{[1
]}

Huber, Stefan M. ^{[2
]}

Legault, Claude Y. ^{[1
]}

机构：

[1] Univ Sherbrooke, Dept Chem, Sherbrooke, PQ, Canada

[2] Ruhr Univ Bochum, Dept Chem & Biochem, Bochum, Germany

来源：

ARKIVOC | 2021年

基金：

加拿大自然科学与工程研究理事会; 加拿大创新基金会;

关键词：

Hypervalent iodine; Iodolium ions; Diaryliodonium ions; Halogen bonding; Lewis acids; Computational chemistry; SALTS;

D O I：

10.24820/ark.5550190.p011.639

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Several novel substituted iodine(III)-based halogen bond donors have been computationally investigated using density functional theory (DFT). Their properties of interest related to their Lewis acidity and stability were evaluated. These results constitute a theorical background for the rational design of new active iodine(III)-based organocatalysts. Notably, cyclic diaryliodonium salts with a central six-membered ring (iodininium salts) have been identified as a promising new class of halogen bond donors, although highly Lewis acidic variants have not been synthetized yet.

引用

页码：128 / 140

页数：13

共 18 条

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