Lanthanide coordination compounds modeling: Sparkle/PM3 parameters for dysprosium (III), holmium (III) and erbium (III)

Journal of Organometallic Chemistry

Volumn 693, Issue 10, 2008, Pages 1952-1956

  Simas, Alfredo M ^a   Freire, Ricardo O ^a   Rocha, Gerd B ^b  

^a DEPARTAMENTO DE QUÍMICA FUNDAMENTAL   (Brazil)

^b FEDERAL UNIVERSITY OF PARAÍBA   (Brazil)

Author keywords

Dysprosium; Erbium; Holmium; Lanthanide; PM3; Rare earth; Sparkle model

Indexed keywords

DYSPROSIUM; ERBIUM; HOLMIUM; LIGANDS;

ORGANIC LIGANDS; POTENTIAL CALCULATIONS; SPARKLE MODELS;

RARE EARTH COMPOUNDS;

EID: 41849103005     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2008.01.029     Document Type: Short Survey

References (27)

1. Song Y.S., Yan B., and Chen Z.X. Papers-Chem. Zvesti 59 4 (2005) 251
2. Bai Y.Y., Yan B., and Chen Z.X. J. Coord. Chem. 58 10 (2005) 841
3. Yan B., and Zhou B.J. Photochem. Photobiol. A 171 2 (2005) 181
4. Song Y.S., Yan B., and Chen Z.X. J. Coord. Chem. 57 16 (2004) 1413
5. Kim J.K., Han K.H., Lee J.T., Paik Y.H., Ahn S.H., Lee J.D., Lee K.S., Chon C.Y., and Moon Y.M. Clin. Cancer Res. 12 2 (2006) 543
6. Paeng J.Y., Kim M.J., Kang J.H., Shin B.C., and Myoung H. Oral Oncol. 1 1 (2005) 185
7. Stouwdam J.W., and Van Veggel F.C.J.M. Nanoletter 2 (2002) 733
8. Schanze K.S., Reynolds J.R., Boncella J.M., Harrison B.S., Foley T.J., Bouguettaya M., and Kang T.-S. Synth. Metal 137 (2003) 1013
9. Bellemare A. Prog. Quant. Electron. 27 (2003) 211
10. Dexter D.L. J. Chem. Phys. 21 (1953) 836
11. Malta O.L. Chem. Phys. Lett. 87 (1982) 27
12. Malta O.L. Chem. Phys. Lett. 88 (1982) 353
13. de Andrade A.V.M., da Costa Jr. N.B., Simas A.M., and de Sá G.F. Chem. Phys. Lett. 227 (1994) 349
14. de Andrade A.V.M., da Costa Jr. N.B., Simas A.M., and de Sá G.F. J. Alloy Comp. 225 (1995) 55
15. Rocha G.B., Freire R.O., da Costa Jr. N.B., de Sá G.F., and Simas A.M. Inorg. Chem. 43 (2004) 2346
16. Freire R.O., Rocha G.B., and Simas A.M. Inorg. Chem. 44 (2005) 3299
17. Freire R.O., Rocha G.B., and Simas A.M. J. Mol. Model. 12 (2006) 373
18. Stewart J.J.P. J. Comput. Chem. 10 (1989) 209
19. Stewart J.J.P. J. Comput. Chem. 10 (1989) 221
20. Dewar M.J.S., Zoebisch E.G., Healy E.F., and Stewart J.J.P. J. Am. Chem. Soc. 107 (1985) 3902
21. Freire R.O., Rocha G.B., and Simas A.M. Chem. Phys. Lett. 425 (2006) 138
22. Allen F.H. Acta Crystallogr., Sect. B 58 (2002) 380
23. Bruno I.J., Cole J.C., Edgington P.R., Kessler M., Macrae C.F., McCabe P., Pearson J., and Taylor R. Acta Crystallogr., Sect. B 58 (2002) 389
24. Allen F.H., and Motherwell W.D.S. Acta Crystallogr., Sect. B 58 (2002) 407
25. Costa Jr. N.B., Freire R.O., Rocha G.B., and Simas A.M. Inorg. Chem. Commun. 8 (2005) 831
26. Costa Jr. N.B., Freire R.O., Rocha G.B., and Simas A.M. Polyhedron 24 (2005) 3046
27. Freire R.O., do Monte E.V., Rocha G.B., and Simas A.M. J. Organomet. Chem. 691 (2006) 2584