Intramolecularly Coordinated 2-Iminomethylphenyltellurium Compounds

被引：7

作者：

Hejda, Martin ^{[1
,2
]}

Lork, Enno ^{[1
]}

Mebs, Stefan ^{[3
]}

Dostal, Libor ^{[2
]}

Beckmann, Jens ^{[1
]}

机构：

[1] Univ Bremen, Inst Anorgan Chem & Kristallog, Leobener Str 7, D-28359 Bremen, Germany

[2] Univ Pardubice, Dept Gen & Inorgan Chem, Studentska 573, Pardubice 53210, Czech Republic

[3] Free Univ Berlin, Inst Chem & Biochem, Arnimallee 14, D-14195 Berlin, Germany

来源：

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY | 2017年 / 28期

关键词：

Tellurium; Intramolecular coordination; Density functional calculations; Real-space bond indicators; Structure elucidation; CONSISTENT BASIS-SETS; CONVERGENT BASIS-SETS; CRYSTAL-STRUCTURE; MOLECULAR-STRUCTURES; RELATIVISTIC PSEUDOPOTENTIALS; OXIDATIVE ADDITION; ORGANOCHALCOGEN SE; FACILE CLEAVAGE; TELLURIUM; STABILIZATION;

D O I：

10.1002/ejic.201700421

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Procedures for the synthesis of 2-(tBuNCH)-C6H4Te(S2CNEt2) (1a), 2-(2', 6'-iPr(2)C(6)H(3)NCH) C6H4Te(S2CNEt2) (1b), [2-(tBuNCH) C6H4](2)Te (2a), 2-(tBuNCH)C6H4TeCl (3a), and 2(tBuNCH) C6H4TeCl3 (4a) have been developed. Compounds 1a-4a possess 2-iminomethylphenyl groups that provide intramolecular N donation to the Te atoms, which was investigated by multinuclear NMR spectroscopy and X-ray crystallography. The Te-N bond lengths increase in the order 3a [2.203(2) angstrom] < 4a [2.286(1) angstrom] < 1b [2.337(2) angstrom] < 1a [2.407(2) angstrom] < 2a [2.688(2) angstrom]. The nature of these bonds, which span a wide range from weak to strongly dative, was computationally analyzed for 1a-4a by means of DFT calculations using real-space bonding indicators derived from the atoms-in-molecules (AIM), electron localizability indicator (ELI-D), and noncovalent interactions (NCI) indicator toolkits. The analysis of the electrostatic potentials (ESPs) of proper fragments revealed considerable sigma-hole bond contributions in 3 and 4.

引用

页码：3435 / 3445

页数：11

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