Abstract
Structural and energy characteristics of N,N′-di(9-anthrylmethyl)-1,2-diaminoethane complexes with Z2+, Cd2+, and Hg2+ cations were investigated applying the method DFT (B3LYP/LanL2DZ). The interaction of the diamine with the metal cations results in formation of complexes with various types of structures containing a di-, tri-, or tetracoordinated metal, the latter complexes being the most stable. In all types of complexes the energy of complexing decreases in the series Zn2+, Hg2+, Cd2+ and is determined by combined effect of steric and orbital factors.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
Bren', V.A., Usp. Khim., 2001, vol. 70, p. 1152.
Bourson, J., Badaoui, F., and Valeur, B., J. Fluoresc., 1994, vol. 4, p. 275; Valeur, B. and Leray, I., Coord. Chem. Rev., 2000, vol. 205, p. 3; Prodi, L., Boletta, F., Montali, M., and Zaccheroni, N., Coord. Chem. Rev., 2000, vol. 205, p. 59.
Tolpygin, I.E., Bren', V.A., Dubonosov, A.D., Minkin, V.I., and Rybalkin, V.P., Zh. Org. Khim., 2003, vol. 39, p. 1435.
Foresman, J.B. and Frisch, E., Exploring Chemistry with Electronic Structure Methods, Pittsburg: Gaussian, Inc., 1996, 302 p.
Gaussian 98, Revision A.9, Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Zakrzewski, V.G., Montgomery, J.A. Jr., Stratmann, R.E., Burant, J.C., Dapprich, S., Millam, J.M., Daniels, A.D., Kudin, K.N., Strain, M.C., Farkas, O., Tomasi, J., Barone, V., Cossi, M., Cammi, R., Mennucci, B., Pomelli, C., Adamo, C., Clifford, S., Ochterski, J., Petersson, G.A., Ayala, P.Y., Cui, Q., Morokuma, K., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Cioslowski, J., Ortiz, J.V., Baboul, A.G., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Gomperts, R., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Andres, J.L., Gonzalez, C., Head-Gordon, M., Replogle, E.S., Pople, J.A. Pittsburgh, PA: Gaussian, Inc., 1998.
PCMODEL, Selena Software, Bloomigton, 1987.
Wells, A. F., Structural Inorganic Chemistry, Oxford: Clarendon, 1984, 5 ed.
Reed, A.E., Curtiss, Z.A., and Weinhold, F., Chem. Rev., 1988, vol. 88, p. 899.
Author information
Authors and Affiliations
Additional information
__________
Translated from Zhurnal Organicheskoi Khimii, Vol. 41, No. 8, 2005, pp. 1197-1205.
Original Russian Text Copyright © 2005 by Gribanova, Dubonosov, Tolpygin, Rybalkin, Bren', Minyaev, Minkin.
Rights and permissions
About this article
Cite this article
Gribanova, T., Dubonosov, A., Tolpygin, I. et al. Structure and Stability of Complexes of N,N′-Di(9-anthrylmethyl)-1,2-diaminoethane with Cations of Metals from IIB group: Quantum-chemical Study. Russ J Org Chem 41, 1175–1182 (2005). https://doi.org/10.1007/s11178-005-0311-y
Received:
Issue Date:
DOI: https://doi.org/10.1007/s11178-005-0311-y