Complexes of Co(II), Ni(II), and Cu(II) with (Z)-10-(2-(4-Amino-5-Thioxo-4,5-Dihydro-1H-1,2,4-Triazol-3-yl)hydrazono)-9-Phenanthrone: Synthesis, Spectral Studies, and Quantum Chemical Simulation of the Structures


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Abstract

The complexes of (Z)-10-(2-(4-amino-5-thioxo-4,5-dihydro-1Н-1,2,4-triazol-3-yl)hydrazono)-9-phenanthrone (HL) with the Co(II), Ni(II), and Cu(II) salts, [CoLAcDMF] (I), [NiLAcDMF] (II), [CuL(Н2О)]ClO4 (III), and [CuLAc] (IV), are synthesized and studied. The titration of a solution of HL in DMF with aqueous solutions of CoAc2, NiAc2, Cu(ClO4)2, CuAc2, Cd(NO3)2, or ZnSO4 leads to the bathochromic shift of the long-wavelength absorption band by 35–77 nm in the UV spectra. The formation constants and compositions of the complexes in solutions are determined from the results of titration. The structures of complexes I–IV are proposed on the basis of the DFT calculations and spectral data: the ligand being in the deprotonated form of the thione tautomer is coordinated by the metal cations through the oxygen atom of the carbonyl group and the nitrogen atoms of the hydrazo and amino groups to form two metallocycles, six- and five-membered (6 + 5). The coordination mode is completed by the acetate ion and DMF molecule (in I and II), acetate ion (in IV), or Н2О molecule (in III).

About the authors

R. V. Linko

Peoples Friendship University of Russia (RUDN University)

Author for correspondence.
Email: rlinko@mail.ru
Russian Federation, Moscow

N. A. Polyanskaya

Peoples Friendship University of Russia (RUDN University)

Email: rlinko@mail.ru
Russian Federation, Moscow

M. A. Ryabov

Peoples Friendship University of Russia (RUDN University)

Email: rlinko@mail.ru
Russian Federation, Moscow

V. S. Sergienko

Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences

Email: rlinko@mail.ru
Russian Federation, Moscow, 119991

P. V. Strashnov

Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

Email: rlinko@mail.ru
Russian Federation, Moscow, 119991

V. V. Davydov

Peoples Friendship University of Russia (RUDN University)

Email: rlinko@mail.ru
Russian Federation, Moscow

G. M. Drogova

Peoples Friendship University of Russia (RUDN University)

Email: rlinko@mail.ru
Russian Federation, Moscow

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