Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction

Andreas Nordheider; Emanuel Hupf; Brian Alexander Chalmers; Fergus Ross Knight; Michael Buehl; Stefan  Mebs; Liliana Chęcińska; Enno Lork; Paula Sanz Camacho; Sharon Elizabeth  Ashbrook; Kasun Sankalpa Athukorala Arachchige; David Bradford Cordes; Alexandra Martha Zoya Slawin; Jens  Beckmann; J Derek Woollins

doi:10.1021/ic503056z

Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction

Andreas Nordheider, Emanuel Hupf, Brian Alexander Chalmers, Fergus Ross Knight, Michael Buehl, Stefan Mebs, Liliana Chęcińska, Enno Lork, Paula Sanz Camacho, Sharon Elizabeth Ashbrook, Kasun Sankalpa Athukorala Arachchige, David Bradford Cordes, Alexandra Martha Zoya Slawin, Jens Beckmann, J Derek Woollins

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Abstract

A series of peri-substituted phosphorus-tellurium systems R’Te–Acenap–PR2 (R’ = Ph, p-An, Nap, Mes, Tip; R = iPr, Ph) exhibiting large “through space” spin-spin coupling constants and the “onset” of three-centre four-electron type interactions are 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 DFT studies including NBO, AIM and ELI-D analyses.

Original language	English
Pages (from-to)	2435-2446
Journal	Inorganic Chemistry
Volume	54
Issue number	5
Early online date	18 Feb 2015
DOIs	https://doi.org/10.1021/ic503056z
Publication status	Published - 2 Mar 2015

Keywords

Peri-substitution
Phosphorus-tellurium
Through-space spin-spin coupling
Acenaphthene

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Woollins_2015_IC_Peri_AM
Copyright © 2015 American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic Chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://dx.doi.org/10.1021/ic503056z
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Cite this

Nordheider, A., Hupf, E., Chalmers, B. A., Knight, F. R., Buehl, M., Mebs, S., Chęcińska, L., Lork, E., Sanz Camacho, P., Ashbrook, S. E., Athukorala Arachchige, K. S., Cordes, D. B., Slawin, A. M. Z., Beckmann, J., & Woollins, J. D. (2015). Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction. Inorganic Chemistry, 54(5), 2435-2446. https://doi.org/10.1021/ic503056z

@article{7b7fe8a2139643e38ba3fec088ff27ba,

title = "Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction",

abstract = "A series of peri-substituted phosphorus-tellurium systems R{\textquoteright}Te–Acenap–PR2 (R{\textquoteright} = Ph, p-An, Nap, Mes, Tip; R = iPr, Ph) exhibiting large “through space” spin-spin coupling constants and the “onset” of three-centre four-electron type interactions are 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 DFT studies including NBO, AIM and ELI-D analyses.",

keywords = "Peri-substitution, Phosphorus-tellurium, Through-space spin-spin coupling, Acenaphthene",

author = "Andreas Nordheider and Emanuel Hupf and Chalmers, {Brian Alexander} and Knight, {Fergus Ross} and Michael Buehl and Stefan Mebs and Liliana Ch{\c e}ci{\'n}ska and Enno Lork and {Sanz Camacho}, Paula and Ashbrook, {Sharon Elizabeth} and {Athukorala Arachchige}, {Kasun Sankalpa} and Cordes, {David Bradford} and Slawin, {Alexandra Martha Zoya} and Jens Beckmann and Woollins, {J Derek}",

note = "The authors are thankful to the EPSRC, the EPSRC National Mass Spectrometry Service Centre (NMSSC) Swansea, the School of Chemistry St. Andrews, and EaStCHEM for support. ",

year = "2015",

month = mar,

day = "2",

doi = "10.1021/ic503056z",

language = "English",

volume = "54",

pages = "2435--2446",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society (ACS)",

number = "5",

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Nordheider, A, Hupf, E, Chalmers, BA, Knight, FR, Buehl, M, Mebs, S, Chęcińska, L, Lork, E, Sanz Camacho, P, Ashbrook, SE, Athukorala Arachchige, KS, Cordes, DB , Slawin, AMZ, Beckmann, J & Woollins, JD 2015, 'Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction', Inorganic Chemistry, vol. 54, no. 5, pp. 2435-2446. https://doi.org/10.1021/ic503056z

TY - JOUR

T1 - Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction

AU - Nordheider, Andreas

AU - Hupf, Emanuel

AU - Chalmers, Brian Alexander

AU - Knight, Fergus Ross

AU - Buehl, Michael

AU - Mebs, Stefan

AU - Chęcińska, Liliana

AU - Lork, Enno

AU - Sanz Camacho, Paula

AU - Ashbrook, Sharon Elizabeth

AU - Athukorala Arachchige, Kasun Sankalpa

AU - Cordes, David Bradford

AU - Slawin, Alexandra Martha Zoya

AU - Beckmann, Jens

AU - Woollins, J Derek

N1 - The authors are thankful to the EPSRC, the EPSRC National Mass Spectrometry Service Centre (NMSSC) Swansea, the School of Chemistry St. Andrews, and EaStCHEM for support.

PY - 2015/3/2

Y1 - 2015/3/2

N2 - A series of peri-substituted phosphorus-tellurium systems R’Te–Acenap–PR2 (R’ = Ph, p-An, Nap, Mes, Tip; R = iPr, Ph) exhibiting large “through space” spin-spin coupling constants and the “onset” of three-centre four-electron type interactions are 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 DFT studies including NBO, AIM and ELI-D analyses.

AB - A series of peri-substituted phosphorus-tellurium systems R’Te–Acenap–PR2 (R’ = Ph, p-An, Nap, Mes, Tip; R = iPr, Ph) exhibiting large “through space” spin-spin coupling constants and the “onset” of three-centre four-electron type interactions are 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 DFT studies including NBO, AIM and ELI-D analyses.

KW - Peri-substitution

KW - Phosphorus-tellurium

KW - Through-space spin-spin coupling

KW - Acenaphthene

UR - http://pubs.acs.org/doi/suppl/10.1021/ic503056z

U2 - 10.1021/ic503056z

DO - 10.1021/ic503056z

M3 - Article

C2 - 25692668

SN - 0020-1669

VL - 54

SP - 2435

EP - 2446

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 5

ER -

Peri-substituted phosphorus-tellurium systems – an experimental and theoretical investigation of the P∙∙∙Te through-space interaction

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Keywords

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