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Mononuclear transition metal complexes of 7-nitro-1,3,5-triazaadamantane

Mononuclear transition metal complexes of 7-nitro-1,3,5-triazaadamantane
Mononuclear transition metal complexes of 7-nitro-1,3,5-triazaadamantane
Complexes of the type [MCl2(7-nitro-1,3,5-triaza-adamantane)2] (M = Zn(II), Pd(II), Pt(II)) and [MCl2(H2O)2(7-nitro-1,3,5-triazaadamantane)2] (M = Mn (II), Co(II), Ni(II)) have been prepared and their structures have been analysed by X-ray crystallography, elemental analysis, IR and solid state 13C and 15N NMR spectroscopy, supported by density functional theory/gauge independent atomic orbital (DFT/GIAO) calculations. In each case, 7-nitro-1,3,5-triazaadamantane acts as a mono-dentate ligand and binds to one metal centre only, in spite of the presence of three equivalent amino nitrogens. In the Co(II) and Ni(II) complexes, a two-dimensional intermolecular hydrogen bonding network between the aqua- and the chloro ligands is established. The uncoordinated amines of the 7-nitro-1,3,5-triaza-adamantane are not involved in any H-bonding, as a result of the exceptionally low basicity of this compound.
1548-1555
Wagner, Gabriele
847c14f0-de75-4430-8309-f34f8b6e8a5e
Horton, Peter N.
154c8930-bfc3-495b-ad4a-8a278d5da3a5
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8
Wagner, Gabriele
847c14f0-de75-4430-8309-f34f8b6e8a5e
Horton, Peter N.
154c8930-bfc3-495b-ad4a-8a278d5da3a5
Coles, Simon J.
3116f58b-c30c-48cf-bdd5-397d1c1fecf8

Wagner, Gabriele, Horton, Peter N. and Coles, Simon J. (2016) Mononuclear transition metal complexes of 7-nitro-1,3,5-triazaadamantane. ChemistrySelect, 1 (8), 1548-1555. (doi:10.1002/slct.201600502).

Record type: Article

Abstract

Complexes of the type [MCl2(7-nitro-1,3,5-triaza-adamantane)2] (M = Zn(II), Pd(II), Pt(II)) and [MCl2(H2O)2(7-nitro-1,3,5-triazaadamantane)2] (M = Mn (II), Co(II), Ni(II)) have been prepared and their structures have been analysed by X-ray crystallography, elemental analysis, IR and solid state 13C and 15N NMR spectroscopy, supported by density functional theory/gauge independent atomic orbital (DFT/GIAO) calculations. In each case, 7-nitro-1,3,5-triazaadamantane acts as a mono-dentate ligand and binds to one metal centre only, in spite of the presence of three equivalent amino nitrogens. In the Co(II) and Ni(II) complexes, a two-dimensional intermolecular hydrogen bonding network between the aqua- and the chloro ligands is established. The uncoordinated amines of the 7-nitro-1,3,5-triaza-adamantane are not involved in any H-bonding, as a result of the exceptionally low basicity of this compound.

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slct2016GWa_for_Chesterrep - Accepted Manuscript
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Accepted/In Press date: 11 May 2016
e-pub ahead of print date: 6 June 2016
Organisations: Faculty of Natural and Environmental Sciences

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Local EPrints ID: 403356
URI: http://eprints.soton.ac.uk/id/eprint/403356
PURE UUID: e2378534-623b-45b2-9c55-8b9a0c71d940
ORCID for Peter N. Horton: ORCID iD orcid.org/0000-0001-8886-2016
ORCID for Simon J. Coles: ORCID iD orcid.org/0000-0001-8414-9272

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Date deposited: 30 Nov 2016 11:41
Last modified: 16 Mar 2024 05:09

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Contributors

Author: Gabriele Wagner
Author: Peter N. Horton ORCID iD
Author: Simon J. Coles ORCID iD

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