Pure Appl. Chem., 2007, Vol. 79, No. 8, pp. 1369-1382
http://dx.doi.org/10.1351/pac200779081369
Bond-dissociation enthalpies in the gas phase and in organic solvents: Making ends meet
References
- 1. D. F. McMillen, D. M. Golden. Annu. Rev. Phys. Chem. 33, 493 (1982). (http://dx.doi.org/10.1146/annurev.pc.33.100182.002425)
- 2. S. W. Benson. J. Chem. Educ. 42, 502 (1965).
- 3. M. Szwarc. Chem. Rev. 47, 75 (1950). (http://dx.doi.org/10.1021/cr60146a002)
- 4. J. Berkowitz, G. B. Ellison, D. Gutman. J. Phys. Chem. 98, 2744 (1994). (http://dx.doi.org/10.1021/j100062a009)
- 5. W. Tsang. In Energetics of Organic Free Radicals, J. A. Martinho Simoes, A. Greenberg, J. F. Liebman (Eds.), pp. 22-58, Blackie, London (1996).
- 6. Y.-R. Luo. Handbook of Bond Dissociation Energies in Organic Compounds, CRC Press, Boca Raton (2003).
- 7. S. J. Blanksby, G. B. Ellison. Acc. Chem. Res. 36, 255 (2003). (http://dx.doi.org/10.1021/ar020230d)
- 8. K. K. Irikura, D. J. Frurip (Eds.). Computational Thermochemistry. Prediction and Estimation of Molecular Thermodynamics, ACS Symposium Series No. 677, American Chemical Society, Washington, DC (1998).
- 9. F. G. Bordwell, X.-M. Zhang. Acc. Chem. Res. 26, 510 (1993). (http://dx.doi.org/10.1021/ar00033a009)
- 10. M. Lucarini, P. Pedrielli, G. F. Pedulli, S. Cabiddu, C. Fattuoni. J. Org. Chem. 61, 9259 (1996). (http://dx.doi.org/10.1021/jo961039i)
- 11. L. J. J. Laarhoven, P. Mulder, D. D. M. Wayner. Acc. Chem. Res. 32, 342 (1999). (http://dx.doi.org/10.1021/ar9703443)
- 12. R. M. Borges dos Santos, A. L. C. Lagoa, J. A. Martinho Simoes. J. Chem. Thermodyn. 31, 1483 (1999). (http://dx.doi.org/10.1006/jcht.1999.0513)
- 13. R. M. Borges dos Santos, V. S. F. Muralha, C. F. Correia, J. A. Martinho Simoes. J. Am. Chem. Soc. 123, 12670 (2001). (http://dx.doi.org/10.1021/ja010703w)
- 14. V. S. Muralha, R. M. Borges dos Santos, J. A. Martinho Simoes. J. Phys. Chem. A 108, 936 (2004). (http://dx.doi.org/10.1021/jp036293a)
- 15. R. M. Borges dos Santos, V. S. F. Muralha, C. F. Correia, R. C. Guedes, B. J. C. Cabral, J. A. Martinho Simoes. J. Phys. Chem. A 106, 9883 (2002). (http://dx.doi.org/10.1021/jp025677i)
- 16. R. C. Guedes, K. Coutinho, B. J. C. Cabral, S. Canuto, C. F. Correia, R. M. Borges dos Santos, J. A. Martinho Simoes. J. Phys. Chem. A 107, 9197 (2003). (http://dx.doi.org/10.1021/jp035912c)
- 17. C. F. Correia, R. C. Guedes, R. M. Borges dos Santos, B. J. C. Cabral, J. A. Martinho Simoes. Phys. Chem. Chem. Phys. 6, 2109 (2004). (http://dx.doi.org/10.1039/b314093h)
- 18. C. F. Correia, R. M. Borges dos Santos, S. G. Estacio, J. P. Telo, B. J. C. Cabral, J. A. Martinho Simoes. ChemPhysChem 5, 1217 (2004). (http://dx.doi.org/10.1002/cphc.200400044)
- 19. C. F. Correia, P. M. Nunes, R. M. Borges dos Santos, J. A. Martinho Simoes. Thermochim. Acta 420, 3 (2004). (http://dx.doi.org/10.1016/j.tca.2003.10.027)
- 20. G. C. Justino, C. F. Correia, L. Mira, R. M. Borges dos Santos, J. A. Martinho Simoes, A. M. Silva, C. Santos, B. Gigante. J. Agric. Food Chem. 54, 342 (2006). (http://dx.doi.org/10.1021/jf052062k)
- 21. P. M. Nunes, F. Agapito, B. J. C. Cabral, R. M. Borges dos Santos, J. A. Martinho Simoes. J. Phys. Chem. A 110, 5130 (2006). (http://dx.doi.org/10.1021/jp060325n)
- 22. P. M. Nunes, C. F. Correia, R. M. Borges dos Santos, J. A. Martinho Simoes. Int. J. Chem. Kinet. 38, 17 (2006). (http://dx.doi.org/10.1002/kin.20173)
- 23. R. C. Guedes, B. J. C. Cabral, J. A. Martinho Simoes, H. P. Diogo. J. Phys. Chem. A 104, 6062 (2000). (http://dx.doi.org/10.1021/jp0000580)
- 24. S. G. Estacio, P. Cabral do Couto, B. J. Costa Cabral, M. E. Minas da Piedade, J. A. Martinho Simoes. J. Phys. Chem. A 108, 10834 (2004). (http://dx.doi.org/10.1021/jp0473422)
- 25. K. Coutinho, B. J. C. Cabral, S. Canuto. Chem. Phys. Lett. 399, 534 (2004). (http://dx.doi.org/10.1016/j.cplett.2004.10.063)
- 26. P. Cabral do Couto, R. C. Guedes, B. J. C. Cabral, J. A. Martinho Simoes. J. Chem. Phys. 119, 7344 (2003).
- 27. P. Cabral do Couto, R. C. Guedes, B. J. C. Cabral, J. A. Martinho Simoes. Int. J. Quantum Chem. 86, 297 (2002).
- 28. S. G. Estacio, P. Cabral do Couto, R. C. Guedes, B. J. C. Cabral, J. A. Martinho Simoes. Theor. Chem. Acc. 112, 282 (2004).
- 29. J. D. Cox, G. Pilcher. Thermochemistry of Organic and Organometallic Compounds, Academic Press, London (1970).
- 30. E. Roduner, D. M. Bartels. Ber. Bunsen-Ges. Phys. Chem. 96, 1037 (1992).
- 31. V. D. Parker. J. Am. Chem. Soc. 114, 7458 (1992). (http://dx.doi.org/10.1021/ja00045a018)
- 32. V. D. Parker. J. Am. Chem. Soc. 115, 1201 (1993). (http://dx.doi.org/10.1021/ja00056a085)
- 33. R. M. Borges dos Santos, J. A. Martinho Simoes. J. Phys. Chem. Ref. Data 27, 707 (1998).
- 34. D. Griller, D. D. M. Wayner. Rev. Chem. Intermed. 7, 31 (1986).
- 35. J. M. Kanabus-Kaminska, B. C. Gilbert, D. Griller. J. Am. Chem. Soc. 111, 3311 (1989). (http://dx.doi.org/10.1021/ja00191a030)
- 36. T. Autrey, A. K. Brown, D. M. Camaioni, M. Dupuis, N. S. Foster, A. Getty. J. Am. Chem. Soc. 126, 3680 (2004). (http://dx.doi.org/10.1021/ja039827u)
- 37. D. D. M. Wayner, E. Lusztyk, D. Page, K. U. Ingold, P. Mulder, L. J. J. Laarhoven, H. S. Aldrich. J. Am. Chem. Soc. 117, 8737 (1995). (http://dx.doi.org/10.1021/ja00139a006)
- 38. F. G. Bordwell, W.-Z. Liu. J. Am. Chem. Soc. 118, 10819 (1996). (http://dx.doi.org/10.1021/ja961469q)
- 39. S. Song, D. M. Golden, R. K. Hanson, C. T. Bowman. J. Phys. Chem. A 106, 6094 (2002). (http://dx.doi.org/10.1021/jp020085l)
- 40. D. J. Henry, C. J. Parkinson, L. Radom. J. Phys. Chem. A 106, 7927 (2002). (http://dx.doi.org/10.1021/jp0260752)
- 41. B. Halliwell, J. M. C. Gutteridge. Free Radicals in Biology and Medicine, Clarendon Press, Oxford (1989).
- 42. H. H. Hussain, G. Babic, T. Durst, J. S. Wright, M. Flueraru, A. Chichirau, L. L. Chepelev. J. Org. Chem. 68, 7023 (2003). (http://dx.doi.org/10.1021/jo0301090)
- 43. F. G. Bordwell, J.-P. Cheng. J. Am. Chem. Soc. 113, 1736 (1991). (http://dx.doi.org/10.1021/ja00005a042)
- 44. R. S. Drago, A. P. Dadmun, G. C. Vogel. Inorg. Chem. 32, 2473 (1993). (http://dx.doi.org/10.1021/ic00063a045)
- 45. G. C. Vogel, R. S. Drago. J. Chem. Educ. 73, 701 (1996).
- 46. R. S. Drago. Applications of Electrostatic-Covalent Models in Chemistry, Surfside, Gainesville, FL (1994).
- 47. M. H. Abraham, P. L. Grellier, D. V. Prior, P. P. Duce, J. J. Morris, P. J. Taylor. J. Chem. Soc., Perkin Trans. 2 699 (1989). (http://dx.doi.org/10.1039/p29890000699)
- 48. M. H. Abraham, P. L. Grellier, D. V. Prior, J. J. Morris, P. J. Taylor. J. Chem. Soc., Perkin Trans. 2 521 (1990). (http://dx.doi.org/10.1039/p29900000521)
- 49. D. W. Snelgrove, J. Lusztyk, J. T. Banks, P. Mulder, K. U. Ingold. J. Am. Chem. Soc. 123, 469 (2001). (http://dx.doi.org/10.1021/ja002301e)
- 50. P. Mulder, H.-G. Korth, D. A. Pratt, G. A. DiLabio, L. Valgimigli, G. F. Pedulli, K. U. Ingold. J. Phys. Chem. A 109, 2647 (2005). (http://dx.doi.org/10.1021/jp047148f)
- 51. B. J. C. Cabral, S. Canuto. Chem. Phys. Lett. 417, 570 (2006). (http://dx.doi.org/10.1016/j.cplett.2005.09.140)
- 52. G. da Silva, C.-C. Chen, J. W. Bozzelli. Chem. Phys. Lett. 424, 42 (2006). (http://dx.doi.org/10.1016/j.cplett.2006.04.022)
- 53. E. S. Kryachko, M. T. Nguyen. J. Phys. Chem. A 106, 4267 (2002). (http://dx.doi.org/10.1021/jp020423i)
- 54. M. C. Sousa Lopes, H. W. Thompson. Spectrochim. Acta, Part A 24, 1367 (1968). (http://dx.doi.org/10.1016/0584-8539(68)80160-6)
- 55. M. P. Allen, D. J. Tildesley. Computer Simulation of Liquids, Clarendon Press, New York (1987).
- 56. D. Frenkel, B. Smith. Understanding Molecular Simulation, Academic Press, San Diego (1996).
- 57. C. J. Cramer, D. G. Truhlar. Chem. Rev. 99, 2161 (1999). (http://dx.doi.org/10.1021/cr960149m)
- 58. J. L. Rivail, D. Rinaldi. In Computational Chemistry, Reviews of Current Trends, J. Leszczynski (Ed.), pp. 139-174, World Scientific, Singapore (1996).
- 59. J. Tomasi, M. Persico. Chem. Rev. 94, 2027 (1994). (http://dx.doi.org/10.1021/cr00031a013)
- 60. E. G. Bakalbassis, A. T. Lithoxoidou, A. P. Vafiadis. J. Phys. Chem. A 107, 8594 (2003). (http://dx.doi.org/10.1021/jp034400v)
- 61. J. B. Pedley. Thermochemical Data and Structures of Organic Compounds, Thermodynamics Research Center, College Station, TX (1994).
- 62. N. D. Lebedeva, Y. A. Katin. Russ. J. Phys. Chem. 46, 1088 (1972).
- 63. J. O. Fenwick, D. Harrop, A. J. Head. J. Chem. Thermodyn. 7, 943 (1975). (http://dx.doi.org/10.1016/0021-9614(75)90158-5)
- 64. B. J. C. Cabral, S. Canuto. Chem. Phys. Lett. 406, 300 (2005). (http://dx.doi.org/10.1016/j.cplett.2005.02.100)
- 65. G. A. DiLabio, P. Mulder. Chem. Phys. Lett. 417, 566 (2006). (http://dx.doi.org/10.1016/j.cplett.2005.09.139)
- 66. B. Ruscic, J. E. Boggs, A. Burcat, A. G. Csaszar, J. Demaison, R. Janoschek, J. M. L. Martin, M.L. Morton, M. J. Rossi, J. F. Stanton, P. G. Szalay, P. R. Westmoreland, F. Zabel, T. Berces. J. Phys. Chem. Ref. Data 34, 573 (2005). (http://dx.doi.org/10.1063/1.1724828)
- 67. B. L. Trout, M. Parrinello. J. Phys. Chem. B 103, 7340 (1999). (http://dx.doi.org/10.1021/jp990548w)