Isik, F.Sabaner, M. A.Akan, A. T.Bayri, A.2024-06-122024-06-1220130973-14580974-9845https://doi.org/10.1007/s12648-012-0205-0https://hdl.handle.net/20.500.14551/20430The magnetic properties of the dinuclear Cu(II) complex (especially for dichloro(guaninium)copper(II)) is investigated by broken-symmetry density functional method. Some of unrestricted DFT calculations with the 6-311G(d,p) basis sets for the lighter atoms indicate that the copper atoms may interact with either ferromagnetically or antiferromagnetically depending on the bridging angle of the ligand. The numerical calculations indicate a ferromagnetic coupling occurs below 92A degrees while the antiferromagnetic interactions start to emerge when the angle is greater than this value for this particular dinuclear complex.en10.1007/s12648-012-0205-0info:eu-repo/semantics/closedAccessDFTDinuclear Cu(II) ComplexExchange CouplingMagnetisationDensity-Functional ThermochemistryMagnetic-PropertiesExchange InteractionsCrystal-StructureCopper(Ii)Article873241244N/AWOS:0003147757000072-s2.0-84880752413Q3