On the structure of copper(II) coordination compounds with L-histidine
- Авторлар: Panyushkin V.T.1, Shcherbakov I.N.2, Volynkin V.A.1, Bolotin S.N.1, Bukov N.N.1, Shvydko T.V.2, Dzhabrailova L.K.3, Shamsutdinova M.K.3
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Мекемелер:
- Kuban State University
- South Federal University
- Chechen State University
- Шығарылым: Том 58, № 3 (2017)
- Беттер: 508-518
- Бөлім: Article
- URL: https://bakhtiniada.ru/0022-4766/article/view/161262
- DOI: https://doi.org/10.1134/S0022476617030118
- ID: 161262
Дәйексөз келтіру
Аннотация
Quantum chemical calculations are performed for the spatial and electron structure of complex compounds of L-histidine and its ionized forms with copper(II) for a variety of compositions within the density functional theory (DFT) using the B3LYP functional and 6-311G(d) basis. The solvent (water) is considered within the PCM approximation. EPR spectroscopy is used to study the equilibrium in the copper(II)–L-histidine system in an aqueous solution at рН 2–11. A comparison between the theoretical calculations and the EPR spectra suggests the following geometry for the coordination environment of the copper(II) ion in the complex compounds: CuHLL–square-planar coordination; CuL2, CuHLL′, and CuLL′–distorted square pyramid; and CuL2′–octahedral environment.
Негізгі сөздер
Авторлар туралы
V. Panyushkin
Kuban State University
Хат алмасуға жауапты Автор.
Email: panyushkin@chem.kubsu.ru
Ресей, Krasnodar
I. Shcherbakov
South Federal University
Email: panyushkin@chem.kubsu.ru
Ресей, Rostov-on-Don
V. Volynkin
Kuban State University
Email: panyushkin@chem.kubsu.ru
Ресей, Krasnodar
S. Bolotin
Kuban State University
Email: panyushkin@chem.kubsu.ru
Ресей, Krasnodar
N. Bukov
Kuban State University
Email: panyushkin@chem.kubsu.ru
Ресей, Krasnodar
T. Shvydko
South Federal University
Email: panyushkin@chem.kubsu.ru
Ресей, Rostov-on-Don
L. Dzhabrailova
Chechen State University
Email: panyushkin@chem.kubsu.ru
Ресей, Grozny
M. Shamsutdinova
Chechen State University
Email: panyushkin@chem.kubsu.ru
Ресей, Grozny
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