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Selective Oxidation and Functionalization of 6‑Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6‑Ph<sub>2</sub>P‑Ace-5-TeX (X = Mes, Cl, O<sub>3</sub>SCF<sub>3</sub>). Various Types of P–E···Te(II,IV) Bonding Situations (E = O, S, Se)

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The syntheses of the diaryltelluride 6-Ph2P­(O)-Ace-5-TeMes (1O), the tellurenyl­(II) chlorides 6-Ph2P­(E)-Ace-5-TeCl (2O, E = O; 2S, E = S; 2Se, E = Se), the ditelluroxonium­(IV) bis­(triflate) [6-Ph2P­(O)-Ace-5-TeO]2(O3SCF3)2 (3O), the diaryltellurium­(IV) dichloride 6-Ph2P­(O)-Ace-5-TeMesCl2 (4O), the diarylhalotelluronium­(IV) polyhalides [6-Ph2P­(O)-Ace-5-TeMesBr]­Br3 (5O) and [6-Ph2P­(O)-Ace-5-TeMesI]2I8 (6O), and the aryltellurium­(IV) trihalides 6-Ph2P­(O)-Ace-5-TeX3 (7O, X = Cl; 8O, X = Br; 9O, X = I) are reported. All compounds have been characterized experimentally by means of multinuclear NMR spectroscopy as well as single-crystal X-ray crystallography. The diverse P–E···Te bonding situations (E = O, S, Se) in the peri region have also been investigated in detail by complementary DFT studies including the calculation of peri interaction energies (α-PIE) as well as topological analyses of the electron and pair densities according to the AIM and ELI-D space-partitioning schemes and evaluation of noncovalent bonding aspects applying the NCI index. To illustrate the different bond situations, appropriate Lewis formula representations have been suggested.

创建时间:
2017-04-07
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