Chelate effect: The importance of reorganization energy

International Journal of Quantum Chemistry

Volumn 100, Issue 4 SPEC. ISS., 2004, Pages 419-425

  Davydova, E I ^a   Sevastianova, T N ^a   Timoshkin, A Y ^a   Suvorov, A V ^a   Frenking, G ^b  

^a ST PETERSBURG STATE UNIVERSITY   (Russian Federation)

^b PHILIPPS UNIVERSITY MARBURG   (Germany)

Author keywords

Bidentate ligands; Chelate effect; Germanium and tin tetrahalides; Reorganization energy; Silicon

Indexed keywords

ENTROPY; GERMANIUM; GIBBS FREE ENERGY; HALOGEN ELEMENTS; ISOMERS; SILICON; STABILITY;

BIDENTATE LIGANDS; CHELATE EFFECTS; REORGANIZATION ENERGY; TIN TETRAHALIDES;

CHELATION;

EID: 7544239866     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20094     Document Type: Conference Paper

References (23)

1. Spike, C. J.; Parry, R. W. J Am Chem Soc 1953, 75, 2726.
2. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Secures, 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.; Gossi, M.; Cammi, M.; 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.; Forestman, J. B.; Cioslowski, J.; Ortiz, J. V.; 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.; Nanayakkara, A.; Gonzales, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Pople, J. A. Gaussian 98, Revision A.7: Pittsburgh, 1998.
3. Becke, A. D. J Chem Phys 1993, 98, 5648.
4. Lee, C.; Yang, W.; Parr, R. G. Phys Rev B 1988, 37, 785.
5. Dunning, T. H.; Hay, P. J. Modern Theoretical Chemistry, Vol. 3; Plenum: New York, 1976.
6. Schafer, A.; Horn, H.; Ahlrichs, R. J Chem Phys 1992, 97, 2571.
7. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 6/19/ 03, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multiprogram laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-C06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information (http:// www.emsl.pnl.gov:2080/forms/basisform.html).
8. Plitzko, C.; Meyer, G. Z Anorg Allg Chem 1996, 662, 1646.
9. Woodward, P.; Vogt, T.; Weber, W.; Schweda, E. J Solid State Chem 1998, 138, 350.
10. Bain, V. A.; Killean, R. C. G.; Webster, M. Acta Cryst B 1969, 25, 156.
11. Bechstein, O.; Ziemer, B.; Hass, D.; Trojanov, S. I.; Rybakov, V. B.; Maso, G. N. Z Anorg Allg Chem 1990, 582, 211.
12. Bolte, M.; Hensen, K.; Spangenberg, B. J Chem Cryst 2000, 30, 245.
13. Schnell, E.; Wersin, G. Monatsh Chem 1961, 92, 1055.
14. Adley, A. D.; Bird, P. H.; Frazer, A. R.; Onyszchuk, M. Inorg Chem 1972, 11, 1402.
15. Zakharov, V. N.; Yatsenko, A. B.; Kamyshny, A. L.; Aslanov, L. A. Koord Khim 1991, 17, 789.
16. Davydova, E. I. PhD Thesis, St. Petersburg, 2003.
17. Konysheva, I. I.; Sevastianova, T. N.; Suvorov, A. V. Zh Neorg Khim 1991, 36, 1260.
18. Miller, D. B.; Sisler, H. H. J Am Chem Soc 1955, 77, 4998.
19. Miller, D. B.; Sisler, H. H. J Am Chem Soc 1956, 78, 6421.
20. Aylett, B. J.; Ellis, I. A.; Porrit, C. J. J Chem Soc Dalton Trans 1972, 1953.
21. Beatti, I. R.; Leigh, C. J. J Inorg Nucl Chem 1961, 23, 55.
22. German, A. M.; Sevastianova, T. N.; Suvorov, A. V.; Anatsko, O. E. Russ J Gen Chem 1997, 67, 1188.
23. Sevastianova, T. N.; Korobkina, E. V.; Suvorov, A. V. Zh Neorg Khim 1988, 33, 2900.