On the structure of tri- and tetrahydroxolead(II) complex anions

Collection of Czechoslovak Chemical Communications

Volumn 73, Issue 1, 2008, Pages 59-72

  Šoralová, Stanislava ^a   Breza, Martin ^a  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

Ab initio calculations; DFT calculations; Geometry optimization; Hydrogen bonds; Hydroxocomplexes; Lead; Lone electron pair; Molecular structure; Pb complexes

Indexed keywords

EID: 41949086074     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc20080059     Document Type: Article

References (33)

1. Perera W. N., Hefter G., Sipos P. M.: Inorg. Chem. 2001, 40, 3974; and references therein.
2. Ferri D., Salvatore F., Vasca E.: Ann. Chim. 1989, 79, 1.
3. Johansson G., Olin A.: Acta Chem. Scand. 1968, 22, 3197.
4. Olin A., Söderquist R.: Acta Chem. Scand. 1972, 26, 3505.
5. Grimes S. M., Johnston S. R., Abrahams I.: J. Chem. Soc., Dalton Trans. 1995, 2081.
6. Schwerdtfeger P., Heath G. A., Dolg M., Bennett M. A.: J. Am. Chem. Soc. 1992, 114, 7518.
7. Seth M., Faegri K., Schwerdtfeger P.: Angew. Chem. Int. Ed. 1998, 37, 2493.
8. Shimoni-Livny L., Glusker J. P., Bock Ch. W.: Inorg. Chem. 1998, 37, 1853; and references therein.
9. Watson G. W., Parker S. C., Kresse G.: Phys. Rev. B 1999, 59, 8481.
10. Walsh A., Watson G. W.: J. Solid State Chem. 2005, 178, 1422.
11. Wang X. F., Andrews L.: J. Phys. Chem. A 2005, 109, 9013.
12. Benjelloun A. T., Daoudi A., Chermette H.: Mol. Phys. 2005, 103, 317.
13. Gourlaouen C., Piquemal J. P., Parisel O.: J. Chem. Phys. 2006, 124, 174311.
14. Benjelloun A. T., Daoudi A., Chermette H.: J. Chem. Phys. 2004, 121, 7207.
15. Jensen J. O.: J. Mol. Struct. (THEOCHEM) 2002, 587, 111.
16. Breza M., Biskupič S., Manová A.: Polyhedron 2003, 22, 2863.
17. Breza M., Biskupić S.: Collect. Czech. Chem. Commun. 2003, 68, 2377.
18. Breza M., Biskupič S. Collect. Czech. Chem. Commun. 2004, 69, 2045.
19. Breza M., Biskupič S. Collect. Czech. Chem. Commun. 2004, 69, 2055.
20. Breza M., Manová A. J. Mol. Struct. (THEOCHEM) 2006, 765, 121.
21. Breza M., Manová A. Collect. Czech. Chem. Commun. 1995, 60, 527.
22. Breza M., Manová A. Polyhedron 1999, 18, 2085.
23. Breza M., Manová A. Collect. Czech. Chem. Commun. 1999, 64, 1269.
24. Breza M., Manová A. Collect. Czech. Chem. Commun. 2002, 67, 219.
25. 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 C.1. Gaussian, Inc., Pittsburgh (PA) 2003.
26. Becke A. D.: J. Chem. Phys. 1993, 98, 5648.
27. Møller C., Plesset M. S.: Phys. Rev. 1934, 46, 618.
28. Woon D. E., Dunning T. H., Jr.: J. Chem. Phys. 1993, 98, 1358.
29. Hay P. J., Wadt W. R.: J. Chem. Phys. 1985, 82, 299.
30. Available from: http://www.emsl.pnl.gov/forms/basisform.html. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is a part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, U.S.A., and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by the Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830.
31. Check C. E., Faust T. O., Bailey J. M., Wright B. J., Gilbert T. M., Sunderlin L. S.: J. Phys. Chem. A 2001, 105, 8111.
32. Dunning T. H.: J. Chem. Phys. 1989, 90, 1007.
33. Ermler W. C., Ross R. B., Christiansen P. A.: Int. J. Quantum Chem. 1991, 40, 829.