Structure of Copper(II) N-Methylbenzoylhydroxamate in the Crystalline State and in Solution-Reference-Cited by-同舟云学术

Structure of Copper(II) N-Methylbenzoylhydroxamate in the Crystalline State and in Solution

Published:2023-06-01 Issue:6 Volume:49 Page:347-353
ISSN:0132-344X
Container-title:Координационная химия
language:
Short-container-title:Koordinacionnaâ himiâ

Author:

Rotov A. V.¹,Yakushev I. A.¹,Zhilov V. I.¹,Kornev A. B.²,Ugolkova E. A.¹,Breslavskaya N. N.¹,Timokhina E. N.³,Efimov N. N.¹,Minin V. V.¹

Affiliation:

1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia

2. Institute of Problems of Chemical Physics, Russian Academy of Sciences, Chernogolovka, Moscow oblast, Russia

3. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia

Abstract

The geometrical structure of CuL2 (I), where L = R1N(O)–(O)CR2, R1 = Me, R2 = Ph, was studied by X-ray diffraction in the crystalline state and by stationary ESR spectroscopy in solution. In the crystalline state, I is a chain polynuclear complex. According to ESR data, in frozen solutions, complex I exists as three species, two being mononuclear and one being binuclear. The magnetic resonance parameters and concentrations of the species in frozen solutions were determined. The electronic structure of the complex with full geometry optimization of all systems was calculated in terms of the unrestricted density functional theory (DFT) method.

Publisher

The Russian Academy of Sciences

Reference28 articles.

1. Codd R. // Coord. Chem. Rev. 2008. V. 252. P. 1387.

2. Baugman R.G., Brink D.J., Butle J.M., New P.R. // Acta Crystallogr. C. 2000. V. 56. P. 528.

3. Dzyuba V.I., Koval L.I., Dudko A.V. et al. // J. Coord. Chem., 2014, V. 67. № 8. P. 1437.

4. Rotov A.V., Ugolkova E.A., Lermontova E.Kh. et al. // Russ. J. Inorg. Chem. 2015. V. 60. № 7. P.866. https://doi.org/10.1134/S0036023615070128

5. Rotov A.V, Yakushev I.A., Ugolkova E.A. et al. // Russ. J. Coord. Chem. 2021. V. 47. № 6. P. 376. https://doi.org/10.1134/S1070328421060051