Gas-phase dynamic NMR study of the internal rotation in N-trifluoroacetylpyrrolidine

Journal of Physical Chemistry A

Volumn 107, Issue 17, 2003, Pages 3024-3029

  Suarez, Cristina ^a   Nicholas, Elisabeth J ^a   Bowman, Molly R ^a  

^a SMITH COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTERNAL ROTATION;

CHARACTERIZATION; CHEMICAL BONDS; CONFORMATIONS; GROUND STATE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTEINS; REACTION KINETICS; ROTATION; SOLUTIONS;

AROMATIC HYDROCARBONS;

EID: 0038341764     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp027696y     Document Type: Article

References (30)

1. Stewart, W. E.; Siddall, T. H. I. Chem. Rev. 1970, 70, 517.
2. Wiberg, K.; Rush, D. J. J. Am. Chem. Soc. 2001, 123, 2038.
3. Bragg, R. A.; Clayden, J.; Morris, G. A.; Pink, J. H. Chem.-Eur. J. 2002, 8, 1279.
4. True, N. S.; Suarez, C. Adv. Mol. Struct. Res. 1995, 1, 115.
5. Taha, A. N.; Neugebauer-Crawford, S. M.; True, N. S. J. Phys. Chem. A 2000, 104, 7957.
6. Hao, B.; Gong, W.; Ferguson, T. K.; James, C. M.; Krzycki, J. A.; Chan, M. K. Science 2002, 296, 1462.
7. Marks, D. B.; Marks, A. D.; Smith C. M. Basical Medical Biochemistry. A Clinical Approach; Williams and Wilkins: Baltimore, MD, 1996.
8. MacArthur, M. W.; Thornton, J. M. J. Mol. Biol. 1991, 218, 397.
9. Brazin, K.; Mallis, R. J.; Fulton, D. B.; Andreotii, A. H. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 1899.
10. Duffy, E. M.; Severance, D. L.; Jorgensen, W. L. J. Am. Chem. Soc. 1992, 114, 7535.
11. Ross, B. D.; True, N. S.; Decker, D. L. J. Phys. Chem. 1983, 87, 89.
12. Ross, B. D.; Wong, L. T.; True, N. S. J. Phys. Chem. 1985, 89, 836.
13. Ammann, C.; Meier, P.; Merbach, A. E. J. Magn. Res. 1982, 46, 319.
14. (a) Stephenson, D. S.; Binsch, G. Program No. 365.
15. (b) LeMaster, C. B.; LeMaster, C. L.; True, N. S. DNMR5; Program Nos. 569 and QCMP059; QCPE, Indiana University: Bloomington, IN
16. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, 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.; Cossi, M.; Cammi, R.; 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.; Foresman, 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.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian, Inc.: Pittsburgh, PA, 1998.
17. Neugebauer Crawford, S. M.; Taha, A. N.; True, N. S.; LeMaster, C. B. J. Phys. Chem. A 1997, 101, 4699.
18. Ng, S. J. Chem. Soc. A 1971, 1586.
19. Drakenberg, t.; Lehn, J. M. J. Chem. Soc., Perkin Trans. 2 1972, 532.
20. Lambert, J. B.; Oliver, W. L. J. J. Am. Chem. Soc. 1969, 91, 7774.
21. Anet, F. A. L.; Osyany, J. M. J. Am. Chem. Soc. 1967, 89, 352, The AG values from this paper were recalculated and reported by Jennings, W. B.; Boyd, D. R. Strained Rings. In Cyclic Organonitrogen Sterodynamics; Lambert, J. B., Takeuchi, Y., Eds.; VCH Publishers: New York, 1991.
22. Anet, F. A. L.; Osyany, J. M. J. Am. Chem. Soc. 1967, 89, 352, The AG values from this paper were recalculated and reported by Jennings, W. B.; Boyd, D. R. Strained Rings. In Cyclic Organonitrogen Sterodynamics; Lambert, J. B., Takeuchi, Y., Eds.; VCH Publishers: New York, 1991.
23. Riddell, F. G. The Stereodynamics of Five-Membered Nitrogen-Containing Rings. In Cyclic Organonitrogen Stereodynamics; Lambert, J. B., Takeuchi, Y., Eds.; VCH Publishers Inc.: New York, 1991; p 159.
24. Sandstrom, J. Dynamic NMR Spectroscopy; Academic Press: New York, 1982.
25. Suarez, C.; LeMaster, C. B.; LeMaster, C. L.; Tafazzoli, M.; True, N. S. J. Phys. Chem. 1990, 94, 6679.
26. Perng, B. C.; Newton, M. D.; Raineri, F. F.; Friedman, H. L. J. Chem. Phys. 1996, 104, 7153.
27. Pinto, M. B.; Grindley, T. B.; Szarek, W. A. Magn. Reson. Chem. 1986, 24, 323.
28. LeMaster, C. L.; LeMaster, C. B.; True, N. S. J. Am. Chem. Soc. 1999, 121, 4478.
29. True, N. S.; Ross, B. D. J Phys. Chem. 1984, 88, 3216.
30. Langley, C. H.; Allinger, N. L. J. Phys. Chem. A 2002, 106, 5638.