Combined experimental and theoretical study of the protonation of polyfluorobenzenes [C6H(6-n)F(n)] (n = 0-6)

Journal of Mass Spectrometry

Volumn 32, Issue 5, 1997, Pages 494-506

  Szulejko, J E ^a   Hrusak J ^a,b   McMahon, T B ^a  

^a UNIVERSITY OF WATERLOO   (Canada)

^b J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

Author keywords

ab initio; Additivity scheme; Entropies; Polyfluorobenzenes; Proton affinities

Indexed keywords

BENZENE DERIVATIVE; FLUOROBENZENE; HEXAFLUOROBENZENE;

ARTICLE; CALCULATION; ENTROPY; PRIORITY JOURNAL; PROTON TRANSPORT; THEORETICAL STUDY; THERMODYNAMICS;

EID: 0030984727     PISSN: 10765174     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-9888(199705)32:5<494::AID-JMS508>3.0.CO;2-Y     Document Type: Article

References (62)

1. J. E. Szulejko and T. B. McMahon, J. Am. Chem. Soc. 115, 7839 (1993).
2. T. B. McMahon and P. Kebarle, J. Am. Chem. Soc. 107, 2612 (1985).
3. (a) J. E. Szulejko and T. B. McMahon, in Proceedings of the 39th ASMS Conference on Mass Spectrometry and Allied Topics, p. 29, Nashville, TN, 1991.
4. (b) J. E. Szulejko and T. B. McMahon, in Proceedings of the 40th ASMS Conference on Mass Spectrometry and Allied Topics, p. 1202, Washington, DC, 1992.
5. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin and W. G. Mallard, J. Phys. Chem. Ref. Data, 17, Suppl. 1 (1988).
6. S. G. Lias, J. F. Liebman and R. D. Levin, J. Phys. Chem. Ref. Data 13, 743 (1984).
7. K. G. Hartman and S. G. Lias, Int. J. Mass Spectrom. Ion Phys. 28, 213 (1978).
8. S. G. Lias, National Institute of Science and Technology, Washington, DC, personal communication.
9. R. Yamdagni and P. Kebarle, J. Am. Chem. Soc. 98, 1320 (1976).
10. Y. K. Lau and P. Kebarle, J. Am. Chem. Soc. 98, 7452 (1976).
11. D. K. Bohme, J. A. Stone, R. S. Mason, R. S. Stradling and K. R. Jennings, Int. J. Mass Spectrom. Ion Phys. 37, 283 (1981).
12. M. Meot-Ner (Mautner) and L. W. Sieck, J. Am. Chem. Soc. 113, 4448 (1991).
13. A. Parry, T. Fernandez, M. Garley and R. Mason, J. Chem. Soc., Faraday Trans. 88, 3331 (1992).
14. M. Attinà, F. Cacace and M. Yañez, J. Am. Chem. Soc. 109, 5092 (1987).
15. R. F. W. Bader and C. Chang, J. Phys. Chem. 93, 5095 (1989).
16. R. Mason, D. Milton and F. Harris, J. Chem. Soc., Chem. Commun. 1453 (1987).
17. J. Hrušák, D. Schröder, T. Weiske and H. Schwarz, J. Am. Chem. Soc. 115, 2015 (1993).
18. J. Hrušák, Theor. Chim. Acta 78, 203 (1980).
19. J. Hrušák, Org. Mass Spectrom. 25, 503 (1990).
20. M. Eckert-Maksić, M. Kiessinger and Z. B. Maksić, J. Phys. Org. Chem. 8, 435 (1995).
21. M. Eckert-Maksić, M. Klessinger and Z. B. Maksić, personal communication.
22. Z. B. Maksić, M. Eckert-Maksić and M. Klessinger, Chem. Phys. Lett. 260, 572 (1996).
23. C. Hillebrand, M. Klessinger, M. Eckert-Maksić and Z. B. Maksić, J. Phys. Chem. 100, 9698 (1996).
24. M. Eckert-Maksić, M. Kiessinger and Z. B. Maksić, Chem. Phys. Lett. 232, 472 (1995).
25. Yu. A. Borisov and R. M. Kurbanbaev, Izv. Akad. Nauk, Ser. Khim. 11, 1878 (1993).
26. Yu. A. Borisov and R. M. Kurbanbaev, Russ. Chem. Bull. (Engl. Tranl.) 43, 1132 (1994).
27. M. N. Glukhovtsev, A. Pross, A. Nicolaides and L. Radom, J. Chem. Soc., Chem. Comm. 2347 (1995).
28. D. P. Martinsen and S. E. Burttrill, Jr, Org. Mass Spectrom. 11, 762 (1976).
29. W. G. Liauw, M. S. Lin and A. G. Harrison, Org. Mass Spectrom. 16, 383 (1981).
30. M. Tkaczyk and A. G. Harrison, Int. J. Mass Spectrom. Ion Processes 100, 133 (1990).
31. M. Tkaczyk and A. G. Harrison, Int. J. Mass Spectrom. Ion Processes 132, 73 (1994).
32. R. S. Mason, C. M. Williams and P. D. J. Anderson, J. Chem. Soc., Chem. Commun. 1027 (1995).
33. J. E. Szulejko and T. B. McMahon, Int. J. Mass Spectrom. Ion Processes 109, 279 (1991).
34. M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, H. B. Schlegel, M. A. Robb, E. S. Replogle, T. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzales, R. L. Martin, D. J. Fox, D. J. DeFrees, J. J. P. Stewart and J. A. Pople, Gaussian 92, Revision C. Gaussian, Pittsburgh, PA (1992).
35. W. J. Hehre, L. Radom, P. v. R. Schleyer and J. Pople (Eds), Ab Initio Molecular Orbital Theory, Wiley, New York (1986).
36. B. J. Smith and L. Radom, Chem. Phys. Lett. 231, 345 (1994).
37. B. J. Smith and L. Radom, J. Am. Chem. Soc. 115, 4885 (1993).
38. M. N. Glukhovtsev, J. E. Szulejko, T. B. McMahon, J. W. Gauld, A. P. Scott, B. J. Smith, A Pross and L. Radom, J. Phys. Chem. 98, 13099 (1994).
39. S. W. Benson, in Thermochemical Kinetics, 2nd edn. Wiley, New York (1976), p. 146.
40. -1).
41. T. Fernandez, K. R. Jennings and R. S. Mason, J. Chem. Soc., Faraday Trans. 2 83, 159 (1987).
42. R. S. Mason and T. Fernandez, K. R. Jennings, J. Chem. Soc., Faraday Trans. 2 83, 89 (1987).
43. T. Fernandez, K. R. Jennings and R. S. Mason, J. Chem. Soc., Faraday Trans. 2 85, 1813 (1989).
44. R. B. Sharma, D. K. S. Sharma, K. Hiraoka and P. Kebarle, J. Am. Chem. Soc. 107, 3747 (1985).
45. J. A. Stone, X. Li and P. A. Turner, Can. J. Chem. 64, 2021 (1986).
46. J. Almlöf and K. Faegri, Jr, J. Am. Chem. Soc. 105, 2965 (1986).
47. J. Almlöf and K. Faegri, Jr, J. Chem. Phys. 79, 2784 (1983).
48. D. W. Scott, J. P. McCullough, W. D. Wood, J. F. Messerly, R. E. Pennington, T. C. Kincheloe, I. A. Hossenlopp, D. R. Douslin and G. Waddington, J. Am. Chem. Soc. 78, 5457 (1956).
49. J. H. S. Green, W. Kynaston and H. M. Paisley, J. Chem. Soc. 473 (1963).
50. J. H. S. Green and D. J. Harrison, J. Chem. Thermodyn. 8, 529 (1976).
51. E. S. Domalski and E. D. Hearing, J. Phys. Chem. Ref. Data 22, 805 (1993).
52. J. H. S. Green, D. J. Harrison and W. Kynaston, Spectrochim. Acta, Part A 27, 793, 807 (1971).
53. J. H. S. Green and D. J. Harrison, Spectrochim. Acta, Part A 32, 1185 (1976).
54. S. G. Frankiss and D. J. Harrison, Spectrochim. Acta, Part A 31, 1839 (1975).
55. J. A. Draeger, J. Chem. Thermodyn. 17, 263 (1985).
56. A. Almenningen, O. Bastiansen, R. Seip and H. M. Seip, Acta Chem. Scand. 18, 2115 (1964).
57. S. H. Bauer, K. Katata and K. Kimura, in Structural Chemistry and Molecular Biology, edited by A. Rich and N. Davidson, Vol. 2, p. 653. Freeman, San Francisco (1968).
58. E. J. H. van Schaick, H. J. Geise, F. C. Mijlhoff and G. Renes, J. Mol. Struct. 16, 389 (1973).
59. A. Domenicano, G. Schultz and I. Hargittai, J. Mol. Struct. 78, 97 (1982).
60. L. Nygaard, I. Bojessen, T. Pedersen and J. Rastrup-Andersen, J. Mol. Struct. 2, 209 (1968).
61. S. Doraiswamy and S. D. Sharma, J. Mol. Struct. 102, 81 (1983).
62. H. S. Elston, E. R. Davidson, F. G. Todd and C. S. Parmenter, J. Phys. Chem. 97, 5506 (1993).