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Copper complexes with N-aminotriazolethione azomethines: Structures and magnetochemical properties |
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| Authors: | I. S. Vasil’chenko A. S. Burlov T. E. Shestakova V. N. Ikorskii T. A. Kuz’menko V. G. Vlasenko K. V. Bozhenko L. N. Divaeva A. S. Morkovnik A. S. Bogomyakov D. A. Garnovskii A. I. Uraev I. V. Pirog G. S. Borodkin A. N. Utenyshev I. G. Borodkina O. A. Karpov A. A. Khrulev I. E. Uflyand A. D. Garnovskii S. M. Aldoshin V. I. Minkin |
| Affiliation: | 1. Research Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russia 2. Southern Scientific Center, Russian Academy of Sciences, Rostov-on-Don, Russia 3. Pedagogical Institute, Southern Federal University, Rostov-on-Don, Russia 4. International Tomography Center, Siberian Division, Russian Academy of Sciences, Novosibirsk, Russia 5. Research Institute of Physics, Southern Federal University, Rostov-on-Don, Russia 6. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, Russia |
| Abstract: | Azomethine derivatives of 4-amino-1,2,4-triazole-3-thiones (H2L) and their metal complexes were obtained. The stabilities of the ligand conformers were calculated using quantum-chemical techniques. Ab initio (B3LYP/LANL2DZ) calculations of the complexes in the lower singlet and triplet states were performed with full geometry optimization. The structures and magnetochemical properties of the chelate complexes obtained were examined over a wide temperature range. |
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