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

Research output: Contribution to journal › Article › peer-review

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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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 {\textendash} an experimental and theoretical investigation of the P∙∙∙Te through-space interaction",

abstract = "A series of peri-substituted phosphorus-tellurium systems R{\textquoteright}Te{\textendash}Acenap{\textendash}PR2 (R{\textquoteright} = Ph, p-An, Nap, Mes, Tip; R = iPr, Ph) exhibiting large {\textquotedblleft}through space{\textquotedblright} spin-spin coupling constants and the {\textquotedblleft}onset{\textquotedblright} 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",

}

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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