B. Machura, A. Świtlicka, R. Kruszyński
Sep 10, 2008
Citations
0
Influential Citations
26
Citations
Journal
Polyhedron
Abstract
Abstract The reactions of 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine with CuCl 2 · 2H 2 O, Cu(NO 3 ) 2 · 3H 2 O and CuSO 4 · 5H 2 O have been examined, and four [CuCl 2 (dppt)] ( 1 ), [CuCl 2 (dppt) 2 ] · 2MeOH ( 2 ), [Cu(dppt) 2 (H 2 O) 2 ](NO 3 ) 2 ( 3 ) and [Cu(SO 4 )(dppt)(H 2 O)] n · n H 2 O ( 4 ) complexes have been obtained. All the complexes have been structurally and spectroscopically characterized, and compound 4 has been additionally studied by magnetic measurements. The electronic structure of 1 has been calculated with the density functional theory (DFT) method, and the time-dependent DFT calculations have been employed to calculate the electronic spectrum of 1 .