Heteroligand cobalt(II) complexes with some aromatic acid hydrazides and L-histidine
N.V. Troshanin*, T.I. Bychkova **
Kazan Federal University, Kazan, 420008 Russia
E-mail: *nikita-vt@mail.ru, **Tamara.Bychkova@kpfu.ru
Received December 28, 2018
DOI: 10.26907/2542-064X.2019.1.31-41
For citation: Troshanin N.V., Bychkova T.I. Heteroligand cobalt(II) complexes with some aromatic acid hydrazides and L-histidine. Uchenye Zapiski Kazanskogo Universiteta. Seriya Estestvennye Nauki, 2019, vol. 161, no. 1, pp. 31–41. doi: 10.26907/2542-064X.2019.1.31-41. (In Russian)
Abstract
§іomplex formation in the ternary systems cobalt(II) – benzoic / p-methoxybenzoic / o-hydroxybenzoic acid hydrazide – L-histidine has been studied by the methods of spectrophotometry and mathematical modelling in the aqueous solutions with 1.0 mol dm–3 KNO3 as a background. The formation constants and spectral parameters of homo- and heteroligand complexes have been determined. It has been shown that the stability of the complexes formed with o-hydroxybenzoic acid hydrazide was higher than that with p-methoxybenzoic and benzoic acid hydrazides. Extra stabilization of the heteroligand complexes has been identified and interpreted. The quantum-chemical optimization of the cobalt(II) heteroligand complex structure containing the single-charged anionic form of o-hydroxybenzoic acid hydrazide and histidine zwitterion has been carried out.
Keywords: spectrophotometry, mathematical modelling, complex formation, cobalt(II), benzoic acid hydrazide, p-methoxybenzoic acid hydrazide, o-hydroxybenzoic acid hydrazide, L-histidine
References
Smith P.A.S. Organic Reactions. Adams R. (Ed.). New York, Wiley, 1946. 337 p.
Sal'nikov Yu.I., Glebov A.N., Devyatov F.V. Poliyadernye kompleksy v rastvorakh [Polynuclear Complexes in Solutions]. Kazan, Izd. Kazan Univ., 1989. 288 p. (In Russian)
Troshanin N.V., Razryvina §Ў.§Ў., Gilyazetdinov E.M., Bychkova T.I., Shtyrlin V.G. Homo- and heteroligand nickel(II) complexes with benzoic and para-methoxybenzoic acid hydrazides and L-histidine. Uchenye Zapiski Kazanskogo Universiteta. Seriya Estestvennye Nauki, 2017, vol. 159, no. 1, pp. 40–57. (In Russian)
Troshanin N.V., Bychkova T.I.: According to the Results of the Competition for the Best Scientific Work among KFU Students in 2017]. Kazan: Izd. Kazan. Univ., 2017, pp. 7–10. (In Russian)
Afanas'eva G.V. Formation and chemical exchange of copper(II), nickel(II), and cobalt(II) complexes with hydrazides of certain acids in aqueous and aqueous-organic solutions. Cand. Chem. Sci. Diss. Kazan, 2008. 240 p. (In Russian)
Troshanin N.V., Bychkova T.I., Shtyrlin V.G. Stability and structure of cobalt(II) and nickel(II) complexes with salicylic acid hydrazide Vol. 3. Kazan, Izd. Kazan. Univ., 2017, pp. 132–133. (In Russian)
Palade D.M., Ozherel'ev I.D., Belyaeva I.V. Complexation of cobalt(II) with histidine in an inert atmosphere. Koord. Khim., 1994, vol. 20, no. 6, pp. 462–465. (In Russian)
Beck M., NagypЁўl I. Chemistry of Complex Equilibria. Budapest, Akad. Kiado, 1989. 402 p.
Dudek M.J., Ponder J.W. J. Comput. Chem. 1995, vol. 16, pp. 791–816.
Frisch M.J., Trucks G.W., Schlegel H.B., Scuseria G.E., Robb M.A., Cheeseman J.R., Scalmani G., Barone V., Mennucci B., Petersson G.A., Nakatsuji H., Caricato M., Li X., Hratchian H.P., Izmaylov A.F., Bloino J., Zheng G., Sonnenberg J.L., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Vreven T., Montgomery J.A., Peralta J.E. Jr., Ogliaro F., Bearpark M., Heyd J.J., Brothers E., Kudin K.N., Staroverov V.N., Keith T., Kobayashi R., Normand J., Raghavachari K., Rendell A., Burant J.C., Iyengar S.S., Tomasi J., Cossi M., Rega N., Millam J.M., Klene M., Knox J.E., Cross J.B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann R.E., Yazyev O., Austin A.J., Cammi R., Pomelli C., Ochterski J.W., Martin R.L., Morokuma K., Zakrzewski V.G., Voth G.A., Salvador P., Dannenberg J.J., Dapprich S., Daniels A.D., Farkas O., Foresman J.B., Ortiz J.V., Cioslowski J., Fox D.J. Gaussian 09, Revision B.01. Wallingford, Conn., Gaussian, Inc., 2010.
Kohn W., Becke A.D., Parr R.G. Density functional theory of electronic structure. J. Phys. Chem., 1996, vol. 100, no. 31, pp. 12974–12980. doi: 10.1021/jp960669l.
Becke A.D. Density?\functional thermochemistry. III. The role of exact exchange. J. Chem. Phys., 1993, vol. 98, no. 7, pp. 5648–5652. doi: 10.1063/1.464913.
Lee C.T., Yang W.T., Parr R.G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B., 1988, vol. 37, no. 2, pp. 785–789. doi: 10.1103/PhysRevB.37.785.
Tomasi J., Menucci B., CancЁ?s E. The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level // J. Mol. Struct. (Theochem), 1999, vol. 464, nos. 1–3, pp. 211–226. doi: 10.1016/S0166-1280(98)00553-3.
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