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Volumn 101, Issue 29, 1997, Pages 5327-5336

Absolute heats of formation of CHCl, CHF, and CClF. A gas-phase experimental and G2 theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

BOND STRENGTH (CHEMICAL); CHLORINE COMPOUNDS; DISSOCIATION; ENTHALPY; FLUOROCARBONS; MATHEMATICAL MODELS; THERMODYNAMIC STABILITY;

EID: 0031189032     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970778f     Document Type: Article
Times cited : (67)

References (131)
  • 6
    • 85033610893 scopus 로고
    • Jones, M., Jr., Moss, R. A., Eds.; J. Wiley and Sons: New York, Chapter3
    • Moss, R. A.; Jones, M., Jr. In Reactive Intermediates; Jones, M., Jr., Moss, R. A., Eds.; J. Wiley and Sons: New York, 1978; Vol. 1, Chapter 3.
    • (1978) Reactive Intermediates , vol.1
    • Moss, R.A.1    Jones Jr., M.2
  • 11
    • 0003610749 scopus 로고
    • Liebman, J. F., Greenberg, A., Eds.; VCH Publishers Inc.: Deerfield Beach, FL, Chapter 3
    • (e) Liebman, J. F.; Simons, J. In Molecular Structure and Energetics; Liebman, J. F., Greenberg, A., Eds.; VCH Publishers Inc.: Deerfield Beach, FL, 1986; Vol. 1, Chapter 3.
    • (1986) Molecular Structure and Energetics , vol.1
    • Liebman, J.F.1    Simons, J.2
  • 13
    • 0004076101 scopus 로고
    • Ronald Press: New York
    • (b) Hine, J. Divalent Carbon; Ronald Press: New York, 1964.
    • (1964) Divalent Carbon
    • Hine, J.1
  • 31
    • 0003218450 scopus 로고
    • Halon Replacements, Technology and Science
    • American Chemical Society: Washington, DC
    • Halon Replacements, Technology and Science; Miziolek, A. W., Tsang, W., Eds.; ACS Symposium Series 611 American Chemical Society: Washington, DC, 1995.
    • (1995) ACS Symposium Series 611
    • Miziolek, A.W.1    Tsang, W.2
  • 62
    • 0003652163 scopus 로고
    • Adams. N. G., Babcock, L. M., Eds.; JAI Press: Greenwich
    • Grabowski, J. J. In Advances in Gas Phase Ion Chemistry; Adams. N. G., Babcock, L. M., Eds.; JAI Press: Greenwich, 1992; Vol. 1.
    • (1992) Advances in Gas Phase Ion Chemistry , vol.1
    • Grabowski, J.J.1
  • 64
    • 1842552591 scopus 로고
    • - binding energies of 1-3, see: Paulino, J. A.; Squires, R. R. J. Am. Chem. Soc. 1991, 113, 1845. Paulino, J. A., Ph.D. Thesis, Purdue University, 1992.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 1845
    • Paulino, J.A.1    Squires, R.R.2
  • 74
    • 0002075263 scopus 로고    scopus 로고
    • Dewar, M. J. S. J. Mol. Struct. 1983, 100, 41. Stewart, J. J. P. MOPAC; QCPE No. 455.
    • (1983) J. Mol. Struct. , vol.100 , pp. 41
    • Dewar, M.J.S.1
  • 75
    • 0002075263 scopus 로고    scopus 로고
    • QCPE No. 455
    • Dewar, M. J. S. J. Mol. Struct. 1983, 100, 41. Stewart, J. J. P. MOPAC; QCPE No. 455.
    • MOPAC
    • Stewart, J.J.P.1
  • 76
    • 85033163405 scopus 로고    scopus 로고
    • note
    • Analysis carried out using the CRUNCH program written by Profs. P. B. Armentrout and K. M. Ervin.
  • 92
    • 85033164508 scopus 로고    scopus 로고
    • note
    • The energy-resolved cross sections obtained with argon target are similar in appearance, although they display somewhat more tailing in the threshold region. Because of the greater spread in the lab-frame collision energies when using neon compared to argon target, the former is preferred for energy-resolved analysis of low-dissociation-energy reactions.
  • 98
    • 0029639166 scopus 로고
    • A concise description of these calculations can be found in: Davico, G. E.; Bierbaum, V. M.; DePuy, C. H.; Ellison, G. B.; Squires, R. R. J. Am. Chem. Soc. 1995, 117, 2590. Note that the first term of eq A2 in this paper contains a minor typographical error; it should read 5/2R In(T).
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 2590
    • Davico, G.E.1    Bierbaum, V.M.2    Depuy, C.H.3    Ellison, G.B.4    Squires, R.R.5
  • 100
    • 85033163966 scopus 로고    scopus 로고
    • note
    • An additional factor of R ln(2) is included in the estimate for 2b to account for the entropy of mixing for the chiral ion 2a.
  • 109
    • 85033175298 scopus 로고    scopus 로고
    • note
    • 4).
  • 113
    • 85033179723 scopus 로고    scopus 로고
    • note
    • 2CF-H) = 97.7 kcal/mol from G2(MP2) calculations, this work.
  • 115
    • 0001019927 scopus 로고
    • Patai, S., Rappoport, Z., Eds.; Wiley: New York, and references therein
    • (b) Walsh, R. In The Chemistry of Organic Silicon Compounds; Patai, S., Rappoport, Z., Eds.; Wiley: New York, 1989; p 371, and references therein.
    • (1989) The Chemistry of Organic Silicon Compounds , pp. 371
    • Walsh, R.1
  • 118
    • 77956735468 scopus 로고
    • Stone, F. G. A., West, R., Eds.; Academic Press: San Diego
    • (b) Grev, R. S. In Advances in Organometallic Chemistry; Stone, F. G. A., West, R., Eds.; Academic Press: San Diego, 1991; Vol. 33, p 125.
    • (1991) Advances in Organometallic Chemistry , vol.33 , pp. 125
    • Grev, R.S.1
  • 120
    • 0004234620 scopus 로고    scopus 로고
    • Brinker, U., Ed.; JAI Press: Greenwich, CT
    • (b) Chen, P. In Advances in Carbene Chemistry; Brinker, U., Ed.; JAI Press: Greenwich, CT, 1997.
    • (1997) Advances in Carbene Chemistry
    • Chen, P.1
  • 121
    • 85033179229 scopus 로고    scopus 로고
    • note
    • 2 = 0.997).
  • 124
    • 0342932090 scopus 로고
    • 2OH) = 96.2 ± 0.3 kcal/mol: Dóbé, S.; Bérces, T.; Turányi, T.; Márta, F.; Grussdorf, J.; Temps, F.; Wagner, H. Gg. J. Phys. Chem. 1996, 100, 19864. Johnson, R. D.; Hudgens, J. W. J. Phys. Chem. 1996, 100, 19874.
    • (1982) J. Phys. Chem. , vol.86 , pp. 1252
    • Pau, C.-F.1    Hehre, W.J.2
  • 125
    • 36549090835 scopus 로고
    • 2OH) = 96.2 ± 0.3 kcal/mol: Dóbé, S.; Bérces, T.; Turányi, T.; Márta, F.; Grussdorf, J.; Temps, F.; Wagner, H. Gg. J. Phys. Chem. 1996, 100, 19864. Johnson, R. D.; Hudgens, J. W. J. Phys. Chem. 1996, 100, 19874.
    • (1984) J. Chem. Phys. , vol.81 , pp. 1882
    • Frisch, M.J.1    Binkley, J.S.2    Schaefer, H.F.3
  • 127
    • 11744269187 scopus 로고    scopus 로고
    • 2OH) = 96.2 ± 0.3 kcal/mol: Dóbé, S.; Bérces, T.; Turányi, T.; Márta, F.; Grussdorf, J.; Temps, F.; Wagner, H. Gg. J. Phys. Chem. 1996, 100, 19864. Johnson, R. D.; Hudgens, J. W. J. Phys. Chem. 1996, 100, 19874.
    • (1996) J. Phys. Chem. , vol.100 , pp. 19874
    • Johnson, R.D.1    Hudgens, J.W.2


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