Preprint Article Version 1 This version is not peer-reviewed

Steric Effects of Alkyl Substituents at N-Donor Bidentate Amines Direct the Nuclearity, Bonding and Bridging Modes in Thiocyanato-Copper(II) Complexes

Version 1 : Received: 1 December 2018 / Approved: 3 December 2018 / Online: 3 December 2018 (10:02:16 CET)

A peer-reviewed article of this Preprint also exists.

Mautner, F.A.; Fischer, R.C.; Torvisco, A.; Henary, M.M.; Milner, A.; DeVillier, H.; Karsili, T.N.V.; Louka, F.R.; Massoud, S.S. Steric Effects of Alkyl Substituents at N-Donor Bidentate Amines Direct the Nuclearity, Bonding and Bridging Modes in Isothiocyanato-Copper(II) Coordination Compounds. Crystals 2019, 9, 38. Mautner, F.A.; Fischer, R.C.; Torvisco, A.; Henary, M.M.; Milner, A.; DeVillier, H.; Karsili, T.N.V.; Louka, F.R.; Massoud, S.S. Steric Effects of Alkyl Substituents at N-Donor Bidentate Amines Direct the Nuclearity, Bonding and Bridging Modes in Isothiocyanato-Copper(II) Coordination Compounds. Crystals 2019, 9, 38.

Journal reference: Crystals 2019, 9, 38
DOI: 10.3390/cryst9010038

Abstract

A series of Cu(II)-thiocyanato complexes derived from sterically hindered N-donors diamines were synthesized and characterized: catena-[Cu(Me3en)(μ-NCS)(NCS)] (1), catena-[Cu(NEt2Meen)(μ-NCS)(NCS)] (2), catena-[Cu(N,N,2,2-Me4pn)(μ-NCS)(NCS)] (3), the dimeric: [Cu2(N,N′-isp2en)2(μ-NCS)2(NCS)2] (4) and the monomeric complex [Cu(N,N′-t-Bu2en)(NCS)2] (5), where Me3en = N,N,N′-Trimethylethylenediamine, NEt2Meen = N,N-diethyl-N′-methylethylenediamine, N,N,2,2-Me4pn = N,N,2,2-tetramethylpropylenediamine, N,N′-isp2en = N,N′-diisopropylethylenediamine and N,N′-t-Bu2en = N,N′-di(tert-butyl)ethylenediamine. The complexes were characterized by elemental microanalyse, IR and UV-Vis spectroscopy and single crystal X-ray crystallography. Density Functional Theory was used to evaluate the role of steric effects in compounds 4 and 5 and how this may affect the adaption of a specific geometry, NCS-bonding mode and the dimensionality of the resulting complex.

Subject Areas

coordination compounds; coordination polymers; copper; thiocyanate; crystal Structure; DFT calculations

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