Abstract

We present structural and magnetic studies of complex [Cu(dpt)(NCS)2], 1a, dpt = bis(3-aminopropyl)amine. A weak antiferromagnetic interaction mediated by a Cu⋯ π non-covalent interaction was identified by magnetometry measurements, and the exchange magnitude (J = -2.24 cm−1, J stands for isotropic magnetic exchange constant) was determined. These results were supported by theoretical calculations (DFT) and the nature of the Cu⋯ π interaction was studied by QT-AIM. It was confirmed that the Cu⋯ π non-covalent interaction could be described as semi-coordination. The obtained results were compared to those previously reported for the isomorphous complex [Co(dpt)(NCS)2].

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