Thermodynamic stability of trichlorocyclopropenyl cation. An experimental (FTICR) and computational [G2(MP2)] study

Journal of Organic Chemistry

Volumn 63, Issue 24, 1998, Pages 8995-8997

  Abboud, J L M ^a   Castano O ^b   Herreros, M ^a   Leito, I ^a   Notario, R ^a   Sak, K ^a  

^a INSTITUTO DE QUÍMICA FÍSICA ROCASOLANO   (Spain)

^b UNIVERSITY OF ALCALÁ   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORIDE; HALIDE;

ARTICLE; CALCULATION; CYCLOTRON; ENERGY TRANSFER; ENTHALPY; FOURIER TRANSFORMATION; MASS SPECTROMETRY; QUANTITATIVE DIAGNOSIS; SPECTROMETRY; THERMODYNAMICS;

EID: 0031792257     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo981369y     Document Type: Article

References (25)

1. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
2. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
3. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
4. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
5. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
6. + have recently been published: Clark, G. R.; Taylor, M. J.; Steele, D. J. Chem. Soc., Faraday Trans. 1993, 89, 3597-3601.
7. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1.
8. Curtiss, L. A.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1993, 98, 1293-1298.
9. (a) Bowers, M. T.; Aue, D. H.; Webb, H. M.; McIver, R. T. J. Am. Chem. Soc. 1971, 93, 4314-4315.
10. (b) Freiser, B. In Techniques for the Study of Ion-Molecule Reactions; Farrar, J. M., Saunders, W., Jr., Eds.; Wiley: NewYork, 1988; Chapter 2.
11. (c) Laukien, F. H.; Allemann, M.; Bischofberger, P.; Grossmann, P.; Kellerhals, H. P. Kopfel, P. In Fourier Transform Mass Spectrometry. Evolution, Innovations and Applications; Buchanan, M. V., Ed.; ACS Symposium Series 359; American Chemical Society: Washington, DC, 1987; Chapter 5.
12. (a) Abboud, J.-L. M.; Castaño, O.; Herreros, M.; Elguero, J.; Jagerovic, N.; Notario, R.; Sak, K. Int. J. Mass Spectrom., Ion Proc. 1998, 175, 35-40.
13. (b) Abboud, J.-L. M.; Castaño, O.; Della, E. W.; Herreros, M.; Müller, P.; Notario, R.; Rossier, J.-C. J. Am. Chem. Soc. 1997, 119, 2262-2266.
14. (c) Abboud, J.-L. M.; Notario, R.; Ballesteros, E.; Herreros, M.; Mó, O.; Yáñez, M.; Elguero, J.; Boyer, G.; Claramunt, R. J. Am. Chem. Soc. 1994, 116, 2486-2492.
15. +(g). See, e.g., ref 2.
16. Abboud, J.-L. M.; Herreros, M.; Notario, R.; Esseffar, M.; Mó, O.; Yáñez, M. J. Am. Chem. Soc. 1996, 118, 1126-1130.
17. Soo, O. G.; Buchanan, M. V.; Comisarow, M. R. In Fourier Transform Mass Spectrometry. Evolution, Innovations and Applications; Buchanan, M. V., Ed.; ACS Symposium Series 359; American Chemical Society: Washington, DC, 1987; Chapter 1.
18. NIST Chemistry WebBook. NIST Reference Database; No. 69. August 1997 release, http://webbook.nist.gov/chemistry/. Proton Affinity Data: compiled by E. P. Hunter, S. G. Lias. Neutral Thermochemical Data: compiled by H. Y. Afeefy, J. F. Liebman, and S. E. Stein.
19. Gaussian 94, Revision B.3. Frisch, M. J.; Trucks, C. W.; Schlegel, H. B.; Gill, D. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.-, Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andrés, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J., Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; González, C., Pople, J. A. Gaussian lnc.: Pittsburgh, PA, 1995.
20. Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Pople, J. A. J. Chem. Phys. 1997, 106, 1063-1079.
21. Sharma, R. B.; Sen Sharma, D. K.; Hiraoka, K; Kebarle, P. J. Am. Chem. Soc. 1985, 107, 3747-3757.
22. (a) Cremer, D. Tetrahedron 1988, 44, 7427-7454.
23. (b) George, P.; Tratchman, M.; Bock, C. W.; Brett, A. M. Tetrahedron 1976, 32, 317-323.
24. Minkin, V. I.; Glukhotsev, M. N.; Simkin, B. Ya. Aromaticity and Antiaromaticity. Electronical and Structural Aspects; John Wiley: New York, 1994.
25. Taft, R. W.; Topsom, R. D. Prog. Phys. Org. Chem. 1987, 16, 1-87.