Selective oxidation and functionalization of 6‑diphenylphosphinoacenaphthyl-5-tellurenyl species 6‑Ph2P‑Ace-5-TeX (X = Mes, Cl, O3SCF3). Various types of P−E···Te(II,IV) bonding situations (E = O, S, Se)

Emanuel Hupf, Truong Giang Do, Andreas Nordheider, Maren Wehrhahn, Paula Sanz Camacho, Sharon Elizabeth Ashbrook, Enno Lork, Alexandra Martha Zoya Slawin, Stephan Mebs, J Derek Woollins, Jens Beckmann

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12 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)1566–1579
JournalOrganometallics
Volume36
Issue number8
Early online date7 Apr 2017
DOIs
Publication statusPublished - 24 Apr 2017

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