Copper(II) complexes of a series of alkoxy diazine ligands: Mononuclear, dinuclear, and tetranuclear examples with structural, magnetic, and DFT studies

Inorganic Chemistry

Volumn 43, Issue 14, 2004, Pages 4278-4288

  Grove, Hilde ^a   Kelly, Timothy L ^a   Thompson, Laurence K ^a   Zhao, Liang ^a   Xu, Zhiqiang ^a   Abedin, Tareque S M ^a   Miller, David O ^a   Goeta, Andrés E ^b   Wilson, Claire ^c   Howard, Judith A K ^b  

^a MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

^b DURHAM UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER COMPLEX; SULFADIAZINE;

ARTICLE; CHEMICAL ANALYSIS; CHEMICAL INTERACTION; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTALLIZATION; DENSITY FUNCTIONAL THEORY; ENERGY; MAGNETISM; STRUCTURE ANALYSIS;

EID: 3142702861     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic040036i     Document Type: Article

References (34)

1. Xu, Z.; Thompson, L. K.; Miller, D. O. Inorg. Chem. 1997, 36, 3985 and references therein.
2. Thompson, L. K.; Xu, Z.; Goeta, A. E.; Howard, J. A. K.; Clase, J.; Miller, D. O. Inorg. Chem. 1998, 37, 3217 and references therein.
3. Matthews, C. J.; Avery, K.; Xu, Z.; Thompson, L. K.; Zhao, L.; Miller, D. O.; Biradba, K.; Poirier, K.; Zaworotko, M. J.; Wilson, C.; Goeta, A. E.; Howard, J. A. K. Inorg. Chem. 1999, 38, 5266.
4. Thompson, L. K.; Matthews, C. J.; Zhao, L.; Xu, Z.; Miller, D. O.; Wilson, C.; Leech, M. A.; Howard, J. A. K.; Heath, S. L.; Whittaker, A. G.; Winpenny, R. E. P. J. Solid State Chem. 2001, 159, 308.
5. Xu, Z.; Thompson, L. K.; Matthews, C. J.; Miller, D. O.; Goeta, A. E.; Howard, J. A. K. Inorg. Chem. 2001, 40, 2446.
6. Xu, Z.; Thomspon, L. K.; Miller, D. O. J. Chem. Soc., Dalton Trans. 2002, 2462.
7. Matthews, C. J.; Xu, Z.; Mandal, S. K.; Thompson, L. K.; Biradha, K.; Poirier, K.; Zaworotko, M. J. J. Chem. Soc., Chem. Commun. 1999, 347.
8. Matthews, C. J.; Thompson, L. K.; Parsons, S. R.; Xu, Z.; Miller, D. O.; Heath, S. L. Inorg. Chem. 2001, 40, 4448.
9. Zhao, L.; Matthews, C. J.; Xu, Z.; Thompson, L. K.; Miller, D. O. Mol. Cryst. Liq. Cryst. 2002, 376, 389.
10. Thompson, L. K. Coord. Chem. Rev. 2002, 233-234, 193.
11. Xu, Z.; Thompson, L. K.; Matthews, C. J. Miller, D. O.; Goeta, A. E.; Wilson, C.; Howard, J. A. K.; Ohba, M.; Okawa, H. J. Chem. Soc., Dalton Trans. 2000, 69.
12. Brown, D. S.; Crawford, V. H.; Hall, J. W.; Hatfield, W. E. J. Phys. Chem. 1977, 81, 1303.
13. Milway, V. A.; Zhao, L.; Abedin, T. S. M.; Thompson, L. K.; Xu, Z. Polyhedron 2003, 22, 1271.
14. Cosier, J.; Glazer, A. M. J. Appl. Crystallogr. 1986, 19, 105.
15. (a) Siemens SMART Data Collection Software, ver. 4.050; Siemens Analytical X-ray Instruments Inc.: Madison, WI, 1996.
16. (b) Siemens SAINT Data Reduction Software, version 4.050; Siemens Analytical X-ray Instruments Inc.: Madison, WI, 1996.
17. Sheldrick, G. M. SHELXTL 5.04/VMS, An integrated system for solving, refining and Displaying crystal structures from diffraction data; Siemens Analytical X-ray Instruments Inc.: Madison, WI, 1995.
18. (a) Sheldrick, G. M. SHELX97; University of Gottingen: Gottingen, Germany, 1997.
19. (b) SIR97: Altomare, A.; Cascarano, M.; Giacovazzo, C.; Guagliardi, A. J. Appl. Crystallogr. 1993, 26, 343.
20. DIRDIF94: Beurskens, P. T.; Admiraal, G.; Beurskens, G.; Bosman, W. P.; de Gelder, R.; Israel, R.; Smits, J. M. M. The DIRDIF-94 program system; Technical Report of the Crystallography Laboratory; University of Nijmegen: Nijmegen, The Netherlands, 1994.
21. Cromer, D. T.; Waber, J. T. International Tables for X-ray Crystallography; The Kynoch Press: Birmingham, England, 1974; Vol. IV, Table 2.2 A.
22. Ibers, J. A.; Hamilton, W. C. Acta Crystallogr. 1964, 17, 781.
23. Creagh, D. C.; McAuley, W. J. International Tables for Crystallography; Wilson, A. J. C., Ed.; Kluwer Academic Publishers: Boston, MA, 1992; Vol. C, Table 4.2.6.8, pp 219-222.
24. teXsan for Windows: Crystal Structure Analysis Package; Molecular Structure Corp: The Woodlands, TX, 1997.
25. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
26. Xu, Z.; Thompson, L. K.; Miller, D. O.; Ruiz, E.; Alvarez, S. Inorg. Chem. 2003, 42, 1107.
27. Chen, Z.; Xu, Z.; Zhang, L.; Yan, F.; Lin, Z. J. Phys. Chem. A 2001, 105, 9710.
28. Ruiz, E.; Alemany, P.; Alvarez, S.; Cano, J. J. Am. Chem. Soc. 1997, 119, 1297.
29. Ruiz, E.; Cano, J.; Alvarez, S.; Alemany, P. J. Comput. Chem. 1999, 20, 1391.
30. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; 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.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.05; Gaussian, Inc.: Pittsburgh, PA, 2003.
31. Burk, P. L.; Osborne, J. A.; Youinou, M.-T.; Agnus, Y.; Louis, R.; Weiss, R. J. Am. Chem. Soc. 1981, 103, 1273.
32. Coughlin, P. K.; Lippard, S. J. J. Am. Chem. Soc. 1981, 103, 3228.
33. Arif, H.; Funahashi Y.; Jitsukawa K.; Masuda H. J. Chem. Soc., Dalton Trans. 2003, 2115.
34. MAGMUN4.0 is available free of charge. It has been developed by Dr. Zhiqiang Xu (Memorial University) in collaboration with Prof. L. K. Thompson (lthomp@mun.ca) and Dr. O. Waldmann (oliver.waldmann@iac.unibe.ch). We do not distribute the source codes. The programs may be used for scientific purposes only, and economic utilization is not allowed.