om7b00133_si_001.pdf (2.72 MB)
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)
journal contribution
posted on 2017-04-07, 15:50 authored by Emanuel Hupf, Truong Giang Do, Andreas Nordheider, Maren Wehrhahn, Paula Sanz Camacho, Sharon E. Ashbrook, Enno Lork, Alexandra M. Z. Slawin, Stefan Mebs, J. Derek Woollins, Jens BeckmannThe
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.