Abstract
The quantum chemical simulation of exchange interaction according to the broken symmetry approach was performed for a series of binuclear CuII complexes containing the asymmetric exchange moiety based on bis-hydrazones of 2,6-diformylphenol. The calculated values were compared between themselves and with the experimental values of the exchange parameter 2J for the binuclear copper(II) complexes with bis-hydrazones based on 2,6-diformylphenol in order to reveal the influence pattern of the nature of nonbridging donor atoms X (O, N, S, and Se) onto the exchange interaction. The strength of exchange interaction of the antiferromagnetic type depends significantly on the nature of nonbridging donor atoms, increasing in the series of X = O, NH, S, and Se.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
V. T. Kalinnikov, Yu. V. Rakitin, V. M. Novotortsev, Russ. Chem. Rev., 2003, 72,995.
R. L. Carlin, Magnetochemistry, Springer-Verlag, Berlin; GmbH & Co. K, Heidelberg, 1986, 328 pp.
V. A. Kogan, V. V. Lukov, I. N. Shcherbakov, Russ. J. Coord. Chem., 2010, 36,401.
V. V. Lukov, I. N. Shcherbakov, S. I. Levchenkov, L. D. Popov, I. V. Pankov, Russ. J. Coord. Chem., 2017, 43,1.
V. A. Kogan, V. V. Lukov, V. M. Novotortsev, I. L. Eremenko, G. G. Aleksandov, Russ. Chem. Bull., 2005, 54,600.
L. D. Popov, S. I. Levchenkov, I. N. Shcherbakov, V. V. Lukov, K. Y. Suponitsky, V. A. Kogan, Inorg. Chem. Commun., 2012, 17,1.
S. I. Levchenkov, I. N. Shcherbakov, L. D. Popov, A. I. Uraev, K. Y. Suponitskii, A. A. Zubenko, A. M. Ionov, V. A. Kogan, J. Struct. Chem., 2015, 56,113.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, J. T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Revision E.1, 2003.
A. D. Becke, J. Chem. Phys., 1993, 98, 5648.
A. D. Becke, Phys. Rev. A., 1988, 38, 3098.
C. Lee, W. Yang, R. G. Parr, Phys. Rev. B., 1988, 37,785.
S. I. Levchenkov, I. N. Shcherbakov, L. D. Popov, V. V. Lukov, V. V. Minin, Z. A. Starikova, E. V. Ivannikova, A. A. Tsaturyan, V. A. Kogan, Inorg. Chim. Acta, 2013, 405,169.
I. N. Shcherbakov, S. I. Levchenkov, Y. P. Tupolova, L. D. Popov, V. G. Vlasenko, Y. V. Zubavichus, V. V. Lukov, V. A. Kogan, Eur. J. Inorg. Chem., 2013, 2013, 5033.
A. P. Ginsberg, J. Am. Chem. Soc., 1980, 102,111.
L. Noodleman, C. Y. Peng, D. A. Case, J. M. Mouesca, Coord. Chem. Rev., 1995, 144,199.
K. Yamaguchi, Y. Takahara, T. Fueno, K. N. Houk, Theor. Chim. Acta, 1988, 73,337.
E. Ruiz, J. Cano, S. Alvarez, P. Alemany, J. Comput. Chem., 1999, 20, 1391.
I. Ciofini, C. A. Daul, Coord. Chem. Rev., 2003, 238–239,187.
N. Onofrio, J.-M. Mouesca, J. Phys. Chem. A., 2010, 114, 6149.
V. V. Lukov, S. I. Levchenkov, S. V. Posokhova, I. N. Shcherbakov, V. A. Kogan, Russ. J. Coord. Chem., 2002, 28,222.
A. S. Antsyshkina, M. A. Porai-Koshits, G. G. Sadikov, V. V. Lukov, V. A. Kogan, S. I. Levchenkov, Zh. Neorgan. Khimii, 1994, 39, 905 [Russ. J. Inorg. Chem. (Engl. Transl.), 1994, 39].
F. K. Zhovmir, Yu. A. Simonov, V. V. Zelentsov, N. V. Herbelau, M. D. Revenko, A. K. Stroesku, A. N. Sobolev, Zh. Neorgan. Khimii, 1988, 33, 2180 [J. Inorg. Chem. USSR, 1988, 33].
N. A. Abramova, V. V. Lukov, V. A. Kogan, E. V. Volkova, Tez. dokl. "VI Vsesoyuzn. soveshch. po khimii nevodnykh rastvorov neorganicheskih i komplesnykh soedinenii" [Abstr. "VI All-Union Briefing on the Chemistry of Non-aqueous Solutions of Inorganic and Complex Compounds"], Rostov-on-Don, 1987, p. 135 (in Russian).
V. A. Kogan, V. V. Lukov, L. D. Popov, S. I. Levchenkov, Zh. Neorgan. Khimii, 1993, 38, 1687 [Russ. J. Inorg. Chem. (Engl. Transl.), 1993, 38, No. 10].
N. V. Herbelau, M. D. Revenko, F. K. Zhovmir, B. Ya. Kuyavskaya, Zh. Neorgan. Khimii, 1986, 31, 2017 [J. Inorg. Chem. USSR (Engl. Transl.), 1986, 31, No. 8].
Author information
Authors and Affiliations
Corresponding author
Additional information
Based on the materials of the XXVII International Chugaev Conference on the Coordination Chemistry (October 2–6, 2017; Nizhny Novgorod, Russia).
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 7, pp. 1167–1172, July, 2018.
Rights and permissions
About this article
Cite this article
Shcherbakov, I.N., Levchenkov, S.I. Influence of non-bridging donor atoms on the value of exchange interaction in binuclear CuII complexes with bis-hydrazones based on 2,6-diformylphenol. Russ Chem Bull 67, 1167–1172 (2018). https://doi.org/10.1007/s11172-018-2197-1
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11172-018-2197-1