Nuclear Magnetic Shielding and Indirect Spin-Spin Coupling Constants in Cyclopropane. Gaseous and Liquid NMR Measurements

• Autorzy: Makulski W. , Wilczek M.
• Konferencja: 1st Symp. on NMR in Chemistry, Biology and Medicine; 8-10 Semptember, Warsaw, Poland. Issue dedicated to honour Prof. Witanowski
• Języki publikacji: EN

Abstrakty

EN

Cyclopropane (CH2)3 was studied by advanced methods of NMR spectroscopy in liquid and gaseous states at 300 K. Extrapolation of gas-phase chemical shifts to the zero-density limit allowed the determinations of 1H and 13C absolute nuclear magnetic shieldings of an isolated cyclopropane molecule. The indirect spin-spin coupling constants were extracted from experimental spectra and compared with the calculated values reported in the literature.

Słowa kluczowe

EN

NMR spectra; 1H and 13C magnetic shielding; gas phase; intermolecular effects

• Wydawca: Polskie Towarzystwo Chemiczne
• Czasopismo: Polish Journal of Chemistry
• Rocznik: 2006
• Tom: Vol. 80, nr 7
• Strony: 1055--1060
• Opis fizyczny: Bibliogr. 15 poz., rys.

Twórcy

autor

Makulski W.

autor

Wilczek M.

• Laboratory of NMR Spectroscopy, Department of Chemistry, Warsaw University, Pasteura 1, 02-093 Warszawa, Poland

Bibliografia

• 1. Lacher J.R., Pollock J.W. and Park J.D., J. Chem. Phys., 20, 1047 (1951).
• 2. Bader R.F.W. and Keith T.A., J.. Chem, Phys., 99, 3683 (1993).
• 3. Ruden T.A., Helgaker T. and Jaszuński M., Chem. Phys., 296, 53 (2004).
• 4. Sauers R.R., Tetrahedron, 54, 337 (1998).
• 5. Rauhut G., Puyear S., Woliński K. and Pulay P., J. Chem. Phys., 100, 6310 (1996).
• 6. Makulski W., J. Mol. Struct., 744-747, 439 (2005).
• 7. Jameson C.J., Bull. Magn. Reson., 3, 3 (1980).
• 8. Jackowski K., Wilczek M., Pecul M. and Sadlej J, J. Phys. Chem., A, 104,5955 (2000); ibid., 104,9806 (2000).
• 9. CRC Handbook of Chemistry and Physics, 81, Ed. Devid R. Lide, Boca Raton 2000-2001.
• 10.Gas Encyclopedia, L'Air Liquide, Elsevier, Amsterdam 1976.
• 11.CostaGomesM.F., Calado J.C.G. and Fareleira J.M.N.A., J. Chem. Thermodyn.,11, 1183(1999).
• 12.Ruud K., Astrand P.O. and Taylor P.R., J. Am. Chem. Soc., 123, 4826 (2001).
• 13.Dransfeld A., Chem. Phys., 298, 47 (2004).
• 14.Watts V.S. and Goldstein J.H., J. Chem. Phys., 46, 4165 (1967).
• 15.Kellrhals M., Diehl P., Lounila J. and Wasser R., J. Mol. Struct.156, 255 (1987).