Noncovalent effects in the coordination and assembling of the[Fe(bpca)2][Er(NO3)3(H2O)4]NO3 system

Central European Journal of Chemistry

Volumn 8, Issue 3, 2010, Pages 519-529

  Ferbinteanu, Marilena ^a   Zaharia, Alina ^a   Gîrţu, Mihai A ^b   Cimpoesu, Fanica ^c  

^a UNIVERSITY OF BUCHAREST   (Romania)

^b Faculty of Natural Sciences   (Oman)

^c Institute of Physical Chemistry Ilie Murgulescu   (Oman)

Author keywords

Bpca ligand; DFT calculations; Energy decomposition analysis; Lanthanide chemistry; Supramolecular assembling

Indexed keywords

EID: 77951914442     PISSN: 18951066     EISSN: 16443624     Source Type: Journal    
DOI: 10.2478/s11532-010-0019-x     Document Type: Article

References (30)

1. L. Maretti et al., Inorg. Chem. 46, 660 (2007).
2. T. Kajiwara et al., Inorg. Chem. 45, 4880 (2006).
3. J. Paulovic, F. Cimpoesu, M. Ferbinteanu, K. Hirao, J. Am. Chem. Soc. 126, 3321 (2004).
4. M. Ferbinteanu et al., J. Am. Chem. Soc. 128, 9008 (2006).
5. M. Ferbinteanu et al., Solid State Sciences 11, 760 (2009).
6. M. Ferbinteanu et al., Polyhedron 26, 2069 (2007).
7. P. Caravan, J. J. Ellison, T. J. McMurry, R. B. Lauffer, Chem. Rev. 99, 2293 (1999).
8. S. Cotton, Lanthanide and actinide chemistry (John Wiley & Sons, New York, 2006).
9. C. Benelli, D. Gatteschi, Chem. Rev. 102, 2369 (2002) and references therein.
10. O. Kahn, Acc. Chem. Res. 33, 647 (2000).
11. J. P. Sutter, M. L. Kahn, O. Kahn, Adv. Mater. 11, 863 (1999).
12. M. Sakamoto, K. Manseki, H. Okawa, Coord. Chem. Rev. 219-221, 379 (2001) and references therein.
13. C. M. Zaleski, E. C. Depperman, J. W. Kampf, M. L. Kirk, V. L. Pecoraro, Angew. Chem. Int. Ed. 43, 3912 (2004).
14. A. Mishra, W. Wernsdorfer, K. A. Abboud, G. Christou, J. Am. Chem. Soc. 126, 15648 (2004).
15. J.-P. Costes, F. Dahan, W. Wernsdorfer, Inorg. Chem. 45, 5 (2006).
16. P. Nockemann, B. Thijs, N. Postelmans, K. van Hecke, L. van Meervelt, K. Binnemans, J. Am. Chem. Soc. 128, 13658 (2006).
17. S. Tanase, J. Reedijk, Coord. Chem. Rev. 250, 2501 (2006) and references therein.
18. D. J. Newman, B. K. C. Ng, Crystal Field Handbook (Cambridge University Press, Cambridge, 2000).
19. ADF 2006. 01, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www. scm. com.
20. G. te Velde et al., J. Comput. Chem. 22, 931 (2001).
21. C. Fonseca Guerra, J. G. Snijders, G. te Velde, E. J. Baerends, Theor. Chem. Acc. 99, 391 (1998).
22. A. D. Becke, Phy. Rev. A 38, 3098 (1988).
23. J. P. Perdew, Phys. Rev. B 33, 8822 (1986).
24. J. P. Perdew, Phys. Rev. B 34, 7406 (1986).
25. C. E. Dykstra, G. Frenking, K. S. Kim, G. E. Scuseria, Theory and Applications of Computational Chemistry (Elsevier B. V., Amsterdam, 2005) 291.
26. F. A. Cotton F. G. Wilkinson, Advanced Inorganic Chemistry, 6th edition (John Wiley, New York, 1999) 1108.
27. O. V. Gritsenko, P. R. T. Schipper, E. J. Baerends, Phys. Rev. A 57, 3450 (1998).
28. the RemoveFragOrbitals keyword, online documentation in http://www. scm. com/Doc, Doc2009. 01/ADF/ADFUsersGuide/page88. html
29. F. L. Hirshfeld, Theoretica Chimica Acta 44, 129 (1977).
30. C. Fonseca Guerra, J.-W. Handgraaf, E. J. Baerends, F. M. Bickelhaupt, J. Comput. Chem. 25, 189 (2004).