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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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Date
02/03/2015
Author
Nordheider, Andreas
Hupf, Emanuel
Chalmers, Brian Alexander
Knight, Fergus Ross
Buehl, Michael
Mebs, Stefan
Chęcińska, Liliana
Lork, Enno
Sanz Camacho, Paula
Ashbrook, Sharon Elizabeth
Athukorala Arachchige, Kasun Sankalpa
Cordes, David Bradford
Slawin, Alexandra Martha Zoya
Beckmann, Jens
Woollins, J Derek
Funder
EPSRC
EPSRC
Grant ID
EP/K031252/1
EP/K039210/1
Keywords
Peri-substitution
Phosphorus-tellurium
Through-space spin-spin coupling
Acenaphthene
QD Chemistry
DAS
Metadata
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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.
Citation
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 , vol. 54 , no. 5 , pp. 2435-2446 . https://doi.org/10.1021/ic503056z
Publication
Inorganic Chemistry
Status
Peer reviewed
DOI
https://doi.org/10.1021/ic503056z
ISSN
0020-1669
Type
Journal article
Rights
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
 
Copyright © 2015 American Chemical Society. The Author and the ACS agree that each has unlimited use of Supporting Information. Authors may use or authorize the use of material created by the Author in the Supporting Information associated with the Submitted or Published Work for any purpose and in any format.
Description
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.
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  • University of St Andrews Research
URL
http://pubs.acs.org/doi/suppl/10.1021/ic503056z
URI
http://hdl.handle.net/10023/8251

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