Isolation of the novel example of a monomeric organotellurinic acid.,Dalton Transactions

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Isolation of the novel example of a monomeric organotellurinic acid.
Dalton Transactions ( IF 3.5 ) Pub Date : 2020-01-02 , DOI: 10.1039/c9dt04013g
Rajesh Deka ₁ , Arup Sarkar , Ray J Butcher , Peter C Junk , David R Turner , Glen B Deacon , Harkesh B Singh

Affiliation

The stoichiometrically controlled alkaline hydrolysis of 4, (ppy)TeCl3, [ppy = 2-(2'-pyridyl)phenyl] afforded the partially hydrolyzed μ-oxo-bridged dinuclear telluroxane 5, [(ppyTeCl2)2(μ-O)] and a novel example of an Intramolecular Chalcogen Bonding (IChB) stabilized, monomeric organotellurinic acid 6, (ppy)Te(O)OH. The oxidation of diaryl ditelluride 7, (ppyTe)2 using H2O2 resulted in the isolation of μ-oxo-bridged dimethyl ester 8, [(ppy)Te(O)(OH)(OMe)]2(O). The molecular structures of 4-6 and 8 are unambiguously authenticated by single crystal X-ray diffraction studies. The electronic structure of monomeric tellurinic acid 6 is investigated using DFT calculations. The Natural Bond Order (NBO) analysis, in corroboration with Atoms in Molecules (AIM) analysis reveals that tellurinic acid 6 is stabilized by σ-hole participation of the tellurium atom with the pyridyl N-atom resulting in strong electrostatic interactions between the N and Te atoms.

中文翻译：

分离单体有机碲酸的新实例。

4，（ppy）TeCl3的化学计量控制的碱水解，[ppy = 2-（2'-吡啶基）苯基]提供了部分水解的μ-氧代桥联双核碲氧烷5 [[ppyTeCl2）2（μ-O）]分子内硫属元素键合（IChB）稳定的单体有机碲酸6（ppy）Te（O）OH的新例子。使用H2O2氧化二芳基二碲化物7（ppyTe）2导致分离出μ-氧代桥连二甲基酯8 [[ppy）Te（O）（OH）（OMe）] 2（O）。通过单晶X射线衍射研究明确鉴定了4-6和8的分子结构。使用DFT计算研究单体碲酸6的电子结构。自然债券订单（NBO）分析，

更新日期：2020-01-02

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