Donor-Acceptor Complexes of Normal and Abnormal N-Heterocyclic Carbenes with Group 13 (B, Al, Ga) Elements: A Combined DFT and Atoms-in-Molecules Study

被引：16

作者：

Sarmah, Satyajit ^{[1
]}

Guha, Ankur Kanti ^{[1
]}

Phukan, Ashwini K. ^{[1
]}

机构：

[1] Tezpur Univ, Dept Chem Sci, Napaam 784028, Assam, India

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2013年 / 18期

关键词：

Donor-acceptor systems; Lewis bases; Lewis acids; N-Heterocyclic carbenes; Density functional calculations; LEWIS BASE-ADDUCTS; ALANE; ACTIVATION; HYDRIDES;

D O I：

10.1002/ejic.201300329

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Donor-acceptor interactions play a dominant role in descriptions of various chemical systems. The interactions of main-group Lewis bases with main-group Lewis acids has attracted interest for many years. In this article, donor-acceptor interactions in NHC-EX3 (NHC = normal and abnormal N-heterocyclic carbene; E = B, Al, Ga; X = H, F, Cl, OH, NH2, CH3, CF3) adducts have been investigated within the realms of DFT and atoms-in-molecules (AIM) theory. Substituents attached to the E atom have a profound effect on the strength and dissociation energies of the NHC-E bond. AIM analysis suggests that these donor-acceptor bonds have significant covalent character, which follows the order Al < Ga < B.

引用

页码：3233 / 3239

页数：7

共 9 条

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