Competitive Threshold Collision-Induced Dissociation: Gas-Phase Acidities and Bond Dissociation Energies for a Series of Alcohols

Journal of Physical Chemistry A

Volumn 103, Issue 35, 1999, Pages 6911-6920

  DeTuri, Vincent F ^a   Ervin, Kent M ^a  

^a UNIVERSITY OF NEVADA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000724846     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp991459m     Document Type: Article

References (56)

1. Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744-2765.
2. Tsang, W. In Energetics of Organic Free Radicals; Simões, J. A., Greenberg, A., Liebman, J. F., Eds.; Blackie Academic and Professional: London, 1996; pp 22-58.
3. Liñán, A.; Williams, F. A. Fundamental Aspects of Combustion; Oxford University Press: New York, 1993.
4. Haynes, B. S. In Fossil Fuel Combustion: A Source Book; Bartok, W., Sarofim, A. F., Eds.; John Wiley & Sons: New York, 1991; pp 261-326.
5. Filby, W. G. In Chemical Kinetics of Small Organic Radicals; Alfassi, Z. B., Ed.; CRC Press: Boca Raton, FL, 1988; pp 31-58.
6. Ervin, K. M.; Lineberger, W. C. In Advances in Gas-Phase Ion Chemistry; Adams, N. G., Babcock, L. M., Eds.; JAI: Grenwich, CT, 1992; Vol. l, pp 121-166.
7. DeTuri, V. F.; Su, M. A.; Ervin, K. M. J. Phys. Chem. A 1999, 103, 1468-1479.
8. Rodgers, M. T.; Armentrout, P. B. J. Chem. Phys. 1998, 109, 1787-1800.
9. Schulz, P. A.; Mead, R. D.; Jones, P. L.; Lineberger, W. C. J. Chem. Phys. 1982, 77, 1153-1165.
10. Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R. Phys. Rev. A 1989, 40, 3698-3701.
11. -1.
12. Thermodynamic Properties of Individual Substances, 4th ed.; Gurvich, L. V., Veyts, I. V., Alcock, C. B., Eds.; Hemisphere Publishing Corporation: New York, 1989; Vol. 1.
13. DeTuri, V. F.; Hintz, P. A.; Ervin, K. M. J. Phys. Chem. A 1997, 101, 5969-5986.
14. Ervin, K. M.; Armentrout, P. B. J. Chem. Phys. 1985, 83, 166-189.
15. Armentrout, P. B.; Ervin, K. M. CRUNCH; Fortran program.
16. Rodgers, M. T.; Ervin, K. M.; Armentrout, P. B. J. Chem. Phys. 1997, 106, 4499-4508.
17. Chupka, W. A. J. Chem. Phys. 1959, 30, 191-211.
18. Spasov, V. A.; Lee, T.-H.; Maberry, J. P.; Ervin, K. M. J. Chem. Phys. 1999, 110, 5208-5217.
19. CRC Handbook of Chemistry and Physics, 78th ed.; Linde, D. R., Ed.; CRC Press: New York, 1997.
20. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P., et al. Gaussian94, revision D.4; Gaussian, Inc.: Pittsburgh, PA, 1995.
21. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502-16513.
22. Skoog, D. A.; West, D. M.; Holler, F. J. Analytical Chemistry: An Introduction, 6th ed.; Saunders College Publishing: Philadelphia, 1994; p 91.
23. Herzberg, G. Molecular Spectra and Molecular Structure II. Infrared and Roman Spectra of Polyatomic Molecules; Van Nostrand Reinhold: New York, 1945.
24. Bartmess, J. E.; Scott, J. A.; McIver, R. T., Jr. J. Am. Chem. Soc. 1979, 101, 6046-6056.
25. Chase, M. W., Jr. NIST-JANAF Thermochemical Tables, 4th ed. J. Phys. Chem. Ref. Data 1998 (Monograph No. 9).
26. 3CO) = 1.909 ± 0.004 eV.
27. Afeefy, H. Y.; Liebman, J. F.; Stein, S. E. Neutral Thermochemical Data. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 1998 (http://webbook.nist- .gov)
28. Bartmess, J. E. Negative Ion Energetics Data. In NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Mallard, W. G., Linstrom, P. J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, Nov. 1998 (http://webbook.nist.gov)
29. Bogdanov, B.; Peschke, M.; Tonner, D. S.; Szulejko, J. E.; McMahon, T. B. Int. J. Mass Spectrom. 1999, 185/186/187, 707-725.
30. Klippenstein, S. J. Case Western Reserve University, personal communication, 1998.
31. Meot-Ner (Mautner), M.; Sieck, L. W. J. Phys. Chem. 1986, 90, 6687-6690.
32. Ervin, K. M.; Gronert, S.; Barlow, S. E.; Gilles, M. K.; Harrison, A. G.; Bierbaum, V. M.; DePuy, C. H.; Lineberger, W. C.; Ellison, G. B. J. Am. Chem. Soc. 1990, 112, 5750-5759.
33. Haas, M. J.; Harrison, A. G. Int. J. Mass Spectrom. Ion Processes 1993, 124, 115-124.
34. Boand, G.; Houriet, R.; Gäumann, T. J. Am. Chem. Soc. 1983, 105, 2203-2206.
35. Mordaunt, D. H.; Ashfold, M. N. J. Chem. Phys. 1994, 101, 2630-2631.
36. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. Gas-Phase Ion and Neutral Thermochemistry. J. Phys. Chem. Ref. Data 1988, 17 (Suppl. 1).
37. Batt, L. Int. Rev. Phys. Chem. 1987, 6, 53-90.
38. Osborn, D. L.; Leahy, D. J.; Ross, E. M.; Neumark, D. M. Chem. Phys. Lett. 1995, 255, 484-489.
39. Armentrout, P. B. J. Mass Spectrom. 1999, 34, 74-78.
40. Cooks, R. G.; Koskinen, J. T.; Thomas, P. D. J. Mass Spectrom. 1999, 34, 85-92.
41. Martin, J. D. D.; Hepburn, J. W. Phys. Rev. Lett. 1997, 79, 3154-3157.
42. Martin, J. D. D.; Hepburn, J. W. J. Chem. Phys. 1998, 109, 8139-8142.
43. Cooks, R. G.; Wong, P. S. H. Acc. Chem. Res. 1998, 31, 379-386.
44. Ervin, K. M. Int. J. Mass Spectrom., submitted.
45. Holmes, J. L.; Aubry, C.; Mayer, P. M. J. Phys. Chem. A 1999, 103, 705-709.
46. Brauman, J. I.; Blair, L. K. J. Am. Chem. Soc. 1970, 92, 5986-5992.
47. Khan, F. A.; Clemmer, D. E.; Schultz, R. H.; Armentrout, P. B. J. Phys. Chem. 1993, 97, 7978-7987.
48. Schultz, R. H.; Crellin, K. C.; Armentrout, P. B. J. Am. Chem. Soc. 1991, 113, 8590-8601.
49. Dalleska, N. F.; Honma, K.; Sunderlin, L. S.; Armentrout, P. B. J. Am. Chem. Soc. 1994, 116, 3519-3528.
50. Beyer, T. S.; Swinehart, D. F. Commun. ACM 1973, 16, 379.
51. Stein, S. E.; Rabinovitch, B. S. J. Chem. Phys. 1973, 58, 2438-2445.
52. Stein, S. E.; Rabinovitch, B. S. Chem. Phys. Lett. 1977, 49, l83-188.
53. Gilbert, R. G.; Smith, S. C. Theory of Unimolecular and Recombination Reactions; Blackwell Scientific: Boston, 1990.
54. Baer, T.; Hase, W. L. Unimolecular Reaction Dynamics: Theory and Experiments; Oxford University Press: New York, 1996.
55. Spangler, L. H. Annu. Rev. Phys. Chem. 1997, 48, 481-510.
56. East, A. L. L.; Radom, L. J. Chem. Phys. 1997, 106, 6655-6674.