The Influence of Structural Effects on the Complexing Ability of Crown Ethers III. Rubidium Complexes Formed by the Ligands of the 18C6 Typ

• Autorzy: Filipek S. , Krzyśko K. , Kalinowski M. K.
• Języki publikacji: EN

Abstrakty

EN

A combined AM 1 and molecular mechanics study of the complexation of the rubidium cation by nine substituted crown ethers, L, containing 18 atoms of macroring is presented. The role of microsolvation was incorporated into the models by studying the complexes surrounded by six methanol molecules. The substituent effect is related to the interaction energy, Eint, which was computed for the clusters LRb+(CH3OH)6 in their lowest energy conformations. This is demonstrated by the linear correlation found by plotting logKs vs. Eint, where Ks stands for stability constant of a complex. The appropriate Ks values were calculated on the basis of cyclic voltammetric measurements.

Słowa kluczowe

EN

crown ethers; rubidium complexes; molecular modeling; stability constants

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2001
• Tom: Vol. 75, nr 12
• Strony: 1887--1893
• Opis fizyczny: Bibliogr. 39 poz., rys.

Twórcy

autor

Filipek S.

• Department of Chemistry, University of Warsaw, 1 Pasteur str., 02-093 Warszawa, Poland

autor

Krzyśko K.

• Department of Chemistry, University of Warsaw, 1 Pasteur str., 02-093 Warszawa, Poland

autor

Kalinowski M. K.

• Department of Chemistry, University of Warsaw, 1 Pasteur str., 02-093 Warszawa, Poland

Bibliografia

• 1. Bradshaw J.S., Izatt R.M., Bordunov V.,Zhu C.Y. and Hathaway J.K., Comprehensive Supramolecular Chemistry, Ed. G.W. Gokel, NY 1996, vol. 1, p. 35.
• 2. Cramm D.J., Angew. Chem., Int. Ed., 25, 1039 (1986).
• 3. Lehn J.M., ibid., 27, 89 (1988).
• 4. Hancock R.D. and Martell A.E., Chem. Rev., 89, 1875 (1989).
• 5. Burkert U. and Allinger N.L., Molecular Mechanics, Washington 1982.
• 6. Hay B.R and Hancock R.D., Coord. Chem. Rev., 212, 61 (2001).
• 7. Hancock R.D., Prog. Inorg. Chem., 37, 187 (1989).
• 8. Comba P., Coord. Chem. Rev., 123, 1 (1993).
• 9. Hay B.P., ibid., 126, 177 (1993).
• 10. Hay B.P., RustadJ.R. and Hostetler C.J., J. Am. Chem. Soc., 115, 11158 (1993).
• 11. Hay B.P., Zhang D. and Rustad J.R., Inorg. Chem., 35, 2650 (1996).
• 12. Islam M.S., Pethrick R.A., Pugh D. and Wilson M.J., J. Chem. Soc., Farad. Trans., 93, 387 (1997).
• 13. Glendening E.D., Feller D. and Thompson M.A., J. Am. Chem. Soc., 116, 10657 (1994).
• 14. Islam M.S., Pethrick R.A., Pugh D. and Wilson M.J., J. Chem. Soc., Farad. Trans., 94, 39 (1998).
• 15. Filipek S., Rudzinski P. and Kalinowski M.K., J. Coord. Chem., 50, 131 (2000).
• 16. Filipek S., Krzysko K. and Kalinowski M.K., Main Group Metal Chem., 23, 683 (2000).
• 17. HyperChem Release 5.11 for Windows, Hyper Cube Inc., NY 1999.
• 18. Weiner J.S., Kolmann P.A., Nguyen D.T. and Case D.A., J. Comput. Chem., 7, 230 (1986).
• 19. Case D.A., Pearlman D.A., Caldwell J.W., Cheatham III T., Ross W.S., Simmerling C.L., Darden T.A., Mertz K.M., Stanton R.V., Cheng A.L., Vincent J.J., Crowley M., Ferguson D.M., Radmer R.J., Seibel G.M., Singh U.C., Weiner P.K. and Kollman P.A., AMBER 5, University of California, San Francisco 1997.
• 20. Dewar M.J.S., Zoebish E.G., Healy E.F. and Stewart J.J.P., J. Am. Chem. Soc., 107, 3902 (1985).
• 21. Izatt R.M., Bradshaw J.S., Nielsen S.A., Lamb J.B., Christensen J.J. and Sen D., Chem. .Rev., 85,281 (1985).
• 22. Izatt R.M., Pawlak K., Bradshaw J.S. and Bruening R.L., ibid., 91, 1721 (1991).
• 23. Burden I.J., Coxon A.C., Stoddart J.F. and Wheatley C.M., J. Chem. Soc., Perkin Trans. 1,220(1977).
• 24. LuoG.H.,ShenM.C.,ZhugeX.M.,Dai A.B.,LuG.Y. and Hu H.W., Acta Chim. Sinica, 41,877(1983).
• 25. Izatt R.M., Clark G.A., Lamb J.D., King J.E. and Christensen J.J., Thermochim. Acta, 97, 115 (1986).
• 26. Takeda Y., Ohyagi Y. and Akabori S., J. Chem. Soc., Farad. Trans., 80, 2349 (1984).
• 27. Harris E.J., Zaba B., Truter M.R. and Parsons D.G., Arch. Biochem. Biophys., 182, 311 (1977).
• 28. Gritzner G., Inorg. Chim. Acta, 24, 5 (1977).
• 29. Zollinger D.P., Bos M., van Veen-Blaauw A.M.W. and van der Linden W.E., Anal. Chim. Acta, 161, 83 (1984).
• 30. Zollinger D.P., Bos M., van Veen-Blaauw A.M.W. and van der Linden W.E., ibid., 167, 89 (1985).
• 31. Dobler M. and Phizackerley R.P., Acta Cryst. B, 30, 2746 (1974).
• 32. Bright D. and Truter M.R., J. Chem. Soc. B, 1544 (1970).
• 33. Wipff G., Weiner P. and Kollman P.A., J. Am. Chem. Soc., 104, 3249 (1982).
• 34. Grotenhuis P.D.J. and Kollman P.A., ibid., Ill, 2152 (1989).
• 35. Feller D., J. Phys. Chem. A, 101, 2723 (1997).
• 36. Inoue Y., Amano F., OkadaN., Inada H.,Ouchi M.,Tai A. and Hakushi T., J. Chem. Soc., Perkin Trans. 2, 1239 (1990).
• 37. Inoue Y., Hakushi T., Liu Y. Tong L.H. and Jin D.S., J. Am. Chem. Soc., 115, 475 (1993).
• 38. Vieser H.C., Reinhoudt D.N. and de Jong F., Chem. Soc. Rev., 75 (1994).
• 39. Ghasemi J. and Shamsipur M., J. Solution Chem., 25, 485 (1996).