Steric Effects of Alkyl Substituents at N-Donor Bidentate Amines Direct the Nuclearity, Bonding and Bridging Modes in Isothiocyanato-Copper(II) Coordination Compounds
Franz A. Mautner,
Roland C. Fischer,
Ana Torvisco,
Maher M. Henary,
Andrew Milner,
Hunter DeVillier,
Tolga N. V. Karsili,
Febee R. Louka,
Salah S. Massoud
Affiliations
Franz A. Mautner
Institut für Physikalische and Theoretische Chemie, Technische Universität Graz, A-8010 Graz, Austria
Roland C. Fischer
Institut für Anorganische Chemie, Technische Universität Graz, Stremayrgasse 9/V, A-8010 Graz, Austria
Ana Torvisco
Institut für Anorganische Chemie, Technische Universität Graz, Stremayrgasse 9/V, A-8010 Graz, Austria
Maher M. Henary
Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095-1569, USA
Andrew Milner
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
Hunter DeVillier
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
Tolga N. V. Karsili
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
Febee R. Louka
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
Salah S. Massoud
Department of Chemistry, University of Louisiana at Lafayette, P.O. Box 43700, Lafayette, LA 70504, USA
A series of Cu(II)-isothiocyanato coordination compounds derived from sterically hindered N-donor 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 compound [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 coordination compounds were characterized by elemental microanalyses, IR, and UV–Vis spectroscopy as well as single crystal X-ray crystallography. Density Functional Theory (DFT) 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 coordination compound.
