Electronic structure of the mononuclear Ag(II) complex [Ag([18]aneS4O2)]2+ ([18]aneS4O2 = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)

Deguang Huang; Alexander J. Blake; Eric J. L. McInnes; Jonathan McMaster; E. Stephen Davies; Claire Wilson; Joanna Wolowska; Martin Schröder

doi:10.1039/B717647C

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Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS₄O₂)]²⁺ ([18]aneS₄O₂ = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)†

Deguang Huang,^a Alexander J. Blake,^a Eric J. L. McInnes,^b Jonathan McMaster,*^a E. Stephen Davies,^a Claire Wilson,^a Joanna Wolowska^b and Martin Schröder*^a

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* Corresponding authors

^a School of Chemistry, University of Nottingham, Nottingham, UK
E-mail: M.Schroder@nottingham.ac.uk; J.McMaster@nottingham.ac.uk

^b EPSRC Multi-Frequency EPR Centre, School of Chemistry, University of Manchester, Manchester, UK

Abstract

The structure of [Ag([18]aneS₄O₂)](PF₆)₂·CH₂Cl₂ shows a highly unusual and unexpected boat conformation for the macrocycle with square-planar S₄-coordination at the formal Ag(II) centre and the two ether O-centres lying on the same side of the S₄ plane; the SOMO in [Ag([18]aneS₄O₂)]²⁺ possesses 22.7% Ag 4d_xy character, as determined by multi-frequency EPR spectroscopy and supported by DFT calculations.

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Article information

DOI: https://doi.org/10.1039/B717647C
Article type: Communication
Submitted: 14 Nov 2007
Accepted: 19 Dec 2007
First published: 17 Jan 2008

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Chem. Commun., 2008, 1305-1307

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Electronic structure of the mononuclear Ag(II) complex [Ag([18]aneS₄O₂)]²⁺ ([18]aneS₄O₂ = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)

D. Huang, A. J. Blake, E. J. L. McInnes, J. McMaster, E. S. Davies, C. Wilson, J. Wolowska and M. Schröder, Chem. Commun., 2008, 1305 DOI: 10.1039/B717647C

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