Weak antiferromagnetic interaction in Cu(ii) complex with semi-coordination exchange pathway. (1st September 2022)

• Record Type: Journal Article
• Authors: Havlíček, Lubomir; Herchel, Radovan; Nemec, Ivan; Neugebauer, Petr
• Is Part Of: Polyhedron. Volume 223(2022)
• Publication Date: 2022-09-01
• Subjects: Magnetic exchange interaction -- Non-covalent interaction -- Semi-coordination; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2022.115962
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Structural and magnetic study presenting results for the Cu(ii ) complex exhibiting weak antiferromagnetic exchange interaction mediated via Cu⋯π pathway. 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 ].