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Sterically Hindered Tellurium(IV) Catecholate as a Lewis Acid

Pavel A. Petrov, Е. А. Филиппова, Taisiya S. Sukhikh, Alexander S. Novikov, Maxim N. Sokolov⧫

2022Inorganic Chemistry21 citationsDOI

Abstract

Sterically hindered tellurium catecholate Te(Cat36)2 (Cat36 = 3,6-di-tert-butyl-catecholate) was synthesized with the reaction of amorphous Te with 3,6-di-tert-butyl-o-benzoquinone. Adducts of Te(Cat36)2 with various O- and N-donors were isolated and characterized by means of single-crystal X-ray diffraction along with IR, UV–vis, and NMR (1H, 13C, and 125Te) spectroscopies. In the crystal structure of the adduct with 2,2′-bipyridine (bipy), the unprecedented μ-κ2N,N′:κ2N,N′-bridging coordination mode of bipy was observed. Various intermolecular interactions Te...O, Te...N, and Te...C in adducts were analyzed using density functional theory calculations and quantum theory of atoms in molecules analysis. The estimated strength for appropriate short contacts varies from 0.9 to 5.3 kcal/mol, and they are attractive and purely non-covalent.

Topics & Concepts

ChemistrySteric effectsAdductTelluriumIntermolecular forceCrystallographyCovalent bondMoleculeDensity functional theoryCrystal structureLewis acids and basesBipyridineStereochemistryCatalysisComputational chemistryInorganic chemistryOrganic chemistryChemical Thermodynamics and Molecular StructureOrganoselenium and organotellurium chemistryCrystallography and molecular interactions
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