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Peri-Substituted Phosphorus–Tellurium Systems–An Experimental and Theoretical Investigation of the P···Te through-Space Interaction

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journal contribution
posted on 02.03.2015, 00:00 by Andreas Nordheider, Emanuel Hupf, Brian A. Chalmers, Fergus R. Knight, Michael Bühl, Stefan Mebs, Lilianna Chęcińska, Enno Lork, Paula Sanz Camacho, Sharon E. Ashbrook, Kasun S. Athukorala Arachchige, David B. Cordes, Alexandra M. Z. Slawin, Jens Beckmann, J. Derek Woollins
A series of peri-substituted phosphorus–tellurium systems R′Te–Acenap–PR2 (R′ = Ph, p-An, Nap, Mes, Tip; Acenap = acenaphthene-5,6-diyl (–C12H8); R = iPr, Ph) exhibiting large “through-space” spin–spin coupling constants and the “onset” of three-center four-electron type interactions is presented. The influence of the substituents at the phosphorus and tellurium atoms as well as their behavior upon oxidation (with S, Se) or metal-coordination (Pt, Au) is discussed using NMR spectroscopy, single-crystal X-ray diffraction, and advanced density functional theory studies including NBO, AIM, and ELI-D analyses.