Introduction to active thermochemical tables: Several "Key" enthalpies of formation revisited

Journal of Physical Chemistry A

Volumn 108, Issue 45, 2004, Pages 9979-9997

  Ruscic, Branko ^a   Pinzon, Reinhardt E ^a   Morton, Melita L ^a   Von Laszevski, Gregor ^a   Bittner, Sandra J ^a   Nijsure, Sandeep G ^a   Amin, Kaizar A ^a   Minkoff, Michael ^a   Wagner, Albert F ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGY; GAS-PHASE SPECIES; THERMOCHEMICAL NETWORKS; THERMOCHEMISTRY;

CHEMICAL BONDS; DATABASE SYSTEMS; ENTHALPY; GIBBS FREE ENERGY; GRAPH THEORY; MATRIX ALGEBRA; POLYNOMIALS; REACTION KINETICS; SET THEORY; STOICHIOMETRY;

THERMODYNAMIC STABILITY;

EID: 9144239375     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047912y     Document Type: Article

References (184)

1. Cox, J. D.; Wagman, D. D.; Medvedev, V. A. CODATA Key Values for Thermodynamics; Hemisphere: New York, 1989.
2. Chase, M. W.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, 3rd ed.; J. Phys. Chem. Ref. Data 1985, 14, Suppl. 1. See also: Chase, M. W., Jr., Ed., NIST-JANAF Thermochemical Tables, 4th ed.; J. Phys. Chem. Ref. Data, 1998, Monograph No. 9.
3. Chase, M. W.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, 3rd ed.; J. Phys. Chem. Ref. Data 1985, 14, Suppl. 1. See also: Chase, M. W., Jr., Ed., NIST-JANAF Thermochemical Tables, 4th ed.; J. Phys. Chem. Ref. Data, 1998, Monograph No. 9.
4. Chase, M. W.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, 3rd ed.; J. Phys. Chem. Ref. Data 1985, 14, Suppl. 1. See also: Chase, M. W., Jr., Ed., NIST-JANAF Thermochemical Tables, 4th ed.; J. Phys. Chem. Ref. Data, 1998, Monograph No. 9.
5. Chase, M. W.; Davies, C. A.; Downey, J. R., Jr.; Frurip, D. J.; McDonald, R. A.; Syverud, A. N. JANAF Thermochemical Tables, 3rd ed.; J. Phys. Chem. Ref. Data 1985, 14, Suppl. 1. See also: Chase, M. W., Jr., Ed., NIST-JANAF Thermochemical Tables, 4th ed.; J. Phys. Chem. Ref. Data, 1998, Monograph No. 9.
6. Gurvich, L. V.; Veyts, I. V.; Alcock, C. B. Thermodynamic Properties of Individual Substances, Vol. 1, Parts 1 and 2; Hemisphere: New York, 1989; Vol. 2, Parts 1 and 2; Hemisphere: New York, 1991; Vol. 3, Parts 1 and 2; Begell House: New York, 1996.
7. Gurvich, L. V.; Veyts, I. V.; Alcock, C. B. Thermodynamic Properties of Individual Substances, Vol. 1, Parts 1 and 2; Hemisphere: New York, 1989; Vol. 2, Parts 1 and 2; Hemisphere: New York, 1991; Vol. 3, Parts 1 and 2; Begell House: New York, 1996.
8. Gurvich, L. V.; Veyts, I. V.; Alcock, C. B. Thermodynamic Properties of Individual Substances, Vol. 1, Parts 1 and 2; Hemisphere: New York, 1989; Vol. 2, Parts 1 and 2; Hemisphere: New York, 1991; Vol. 3, Parts 1 and 2; Begell House: New York, 1996.
9. Kerr, A. J.; Stocker, D. W. Strengths of Chemical Bonds. In CRC Handbook of Chemistry and Physics, 84th ed.; Lide, D., Ed.; CRC Press: Boca Raton, FL, 2003-2004.
10. Kerr, A. J.; Stocker, D. W. Strengths of Chemical Bonds. In CRC Handbook of Chemistry and Physics, 84th ed.; Lide, D., Ed.; CRC Press: Boca Raton, FL, 2003-2004.
11. Cox, J. D.; Pilcher, G. Thermochemistry of Organic and Organometallic Compounds; Academic: London, 1970.
12. Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Thermochemical Data of Organic Compounds, 2nd ed.; Chapman and Hall: London 1986.
13. Frenkel, M.; Marsh, K. N.; Wilhoit, R. C.; Kabo, G. J.; Roganov, G. N. Thermodynamics of Organic Compounds in the Gas State, Vol. I and II; Thermodynamics Research Center: College Station, TX, 1994.
14. NIST Chemistry WebBook, NIST Standard Reference Database Number 69; Linstrom, P. J., Mallard, W. G., Eds.; National Institute of Standards and Technology: Gaithersburg MD, 2003 (http://webbook.nist-.gov).
15. th ed.; Lide, D., Ed.; CRC Press: Boca Raton, FL, 2003-2004.
16. McBride, B. J.; Zehe, M. J.; Gordon, S. NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species, NASA Technical Paper 2002-211556; NASA Glenn Research Center: Cleveland, OH, 2002. see also: Properties From Coefficients(PFC) at http://cea.grc-.nasa.gov/index.html.
17. McBride, B. J.; Zehe, M. J.; Gordon, S. NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species, NASA Technical Paper 2002-211556; NASA Glenn Research Center: Cleveland, OH, 2002. see also: Properties From Coefficients(PFC) at http://cea.grc-.nasa.gov/index.html.
18. Burcat, A. Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion, Technion Aerospace Engineering (TAB) Report # 867; Technion; Haifa, 2001. See also ftp://ftp.technion.ac.il/pub/supported/aetdd/ thermodynamics (mirrored at http://garfield-.elte.chem/Burcat/burcat.html).
19. Burcat, A. Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion, Technion Aerospace Engineering (TAB) Report # 867; Technion; Haifa, 2001. See also ftp://ftp.technion.ac.il/pub/supported/aetdd/ thermodynamics (mirrored at http://garfield-.elte.chem/Burcat/burcat.html).
20. Bichowsky, F. R.; Rossini, F. D. The Thermochemistry of the Chemical Substances; Reinhold: New York 1936.
21. Rossini, F. D.; Wagman, D. D.; Evans, W. H.; Levine, S. Selected Values of Chemical Thermodynamic Properties, NBS Circular 500; U.S. Government Printing Office: Washington, DC, 1952.
22. Wagman, D. D.; Evans, W. H.; Parker, V. B.; Schumm, R. H.; Halow, I.; Bailey, S. M.; Churney, K. L.; Nuttall, R. L. The NBS Tables of Chemical Thermodynamic Properties. J. Phys. Chem. Ref. Data, 1982, 11, Suppl. 2.
23. Wagman, D. D.; Evans, W. H.; Halow, I.; Parker, V. B.; Bailey, S. M.; Schumm, R. H.; Churney, K. L.; Nuttall, R. L. Selected Values of Chemical Thermodynamic Properties, NBS Technol. Notes 270-1 through 270-8; U.S. Government Printing Office: Washington, DC, 1965-1981.
24. Guest, M. F.; Pedley, J. B.; Horn, H. J. Thermodynamics 1969, 1, 345.
25. Garvin, D.; Parker, V. B.; Wagman, D. D.; Evans, W. H. In Proc. Fifth Biennial International CODATA Conf., Dreyfus, B., Ed.; Pergamon: Oxford, 1977; p. 567.
26. Syverud, A. N. Quarterly Technol. Report AFRPL-TR-69-187 (T-0009-2Q-69); Dow Chemical; Midland, MI 1969.
27. Syverud, A. N. Report AFRPL-TR-69-70; Dow Chemical: Midland, MI 1969. Prophet, H.; Syverud, A. N. Report AD-867952; Dow Chemical: Midland, MI 1970.
28. Syverud, A. N. Report AFRPL-TR-69-70; Dow Chemical: Midland, MI 1969. Prophet, H.; Syverud, A. N. Report AD-867952; Dow Chemical: Midland, MI 1970.
29. Ruscic, B.; Michael, J. V.; Redfern, P. C.; Curtiss, L. A. J. Phys. Chem. A 1998, 102, 10889.
30. Ruscic, B.; Litorja, M.; Asher, R. L. J. Phys. Chem. A 1999, 103, 8625.
31. For a good discussion, see: Taylor, B. N.; Kuyatt, C. E. Guidelines for Evaluating and Expressing the Uncertainty of NIST Measurement Results; NIST Technical Note 1297; National Institute of Standards and Technology: Washington, DC, 1994. See also: Ellison, S. L. R., Rosslein, M., Williams, A., Eds.; Quantifying Uncertainty in Analytical Measurement, 2nd ed., EURACHEM/CITAC Working Group, EURACHEM, 200(http://www.measurementuncertainty.org/).
32. For a good discussion, see: Taylor, B. N.; Kuyatt, C. E. Guidelines for Evaluating and Expressing the Uncertainty of NIST Measurement Results; NIST Technical Note 1297; National Institute of Standards and Technology: Washington, DC, 1994. See also: Ellison, S. L. R., Rosslein, M., Williams, A., Eds.; Quantifying Uncertainty in Analytical Measurement, 2nd ed., EURACHEM/CITAC Working Group, EURACHEM, 200(http://www.measurementuncertainty.org/).
33. Rossini, F. D. J. Res. Nat. Bur. Stand. 1931, 6, 1.
34. Ruscic, B.; Pinzon, R. E.; Morton, M. L.; von Laszevski, G.; Bittner, S.; Nijsure, S. G.; Amin, K. A.; Minkoff, M.; Wagner, A. F. Active Thermochemical Tables Software and Associated Data Libraries; Argonne National Laboratory: Argonne, IL, 2002-2004.
35. von Laszewski, G.; Ruscic, B.; Wagstrom, P.; Krishnan, S.; Amin, K.; Nijsure, S.; Bittner, S.; Pinzon, R.; Hewson, J. C.; Morton, M. L.; Minkoff, M.; Wagner, A. F. A Grid Service-Based Active Thermochemical Table Framework. In Lecture Notes in Computer Science 2536; Springer: Berlin-Heidelberg, 2003; pp 25-38.
36. von Laszevski, G.; Ruscic, B.; Amin, K.; Wagstrom, P.; Krishnan, S.; Nijsure, S. Int. J. High Perform. Comput. Applicat. 2003, 17, 431.
37. CMCS is one of the SciDAC (Scientific Discovery through Advanced Computing) National Collaboratory projects (for more information, visit http://www.doecollaboratory.org/) funded by the Office of Science of the U.S. Department of Energy (http://www.sc.doe.gov/). CMCS brings together leaders in scientific research and technological development across multiple DOE laboratories, other government laboratories, and academic institutions to develop an open "knowledge grid" for multi-scale informatics-based chemistry research. CMCS is using advanced collaboration and metadatabased data management technologies to develop this grid and the associated community portal.
38. http://cmcs.org.
39. Brix, P.; Herzberg, G. J. Chem. Phys. 1953, 21, 2240.
40. Brix, P.; Herzberg, G. Can. J. Phys. 1954, 32, 110.
41. Lewis, B. R.; Berzins, L.; Carver, J. H.; Gibson, S. T. J. Quantum Spectrosc. Radiat. Transfer 1985, 33, 627.
42. Gibson, S. T.; Lewis, B. R.; Baldwin, K. G.; Carver, J. H. J. Chem. Phys. 1991, 94, 1060.
43. Cosby, P. C.; Huestis, D. L. J. Chem. Phys. 1992, 97, 6108.
44. NIST Atomic Spectra Database, NIST Standard Reference Database #78; NIST: Washington, DC 1999.
45. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure, IV. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
46. Schlapp, R Phys. Rev. 1937, 51, 342.
47. Eriksson, K. B. S.; Isberg, H. B. S. Ark. Fys. 1968, 37, 221.
48. Dehmer, P. M.; Berkowitz, J.; Chupka, W. A. J. Chem. Phys. 1973, 59, 5777.
49. Neumark, D. M.; Lykke, K. R.; Andersen, T.; Lineberger, W. C. Phys. Rev. A 1985, 32, 1890.
50. Hotop, H.; Lineberger, W. C. J. Phys. Chem. Ref. Data 1985, 14, 731.
51. Blondel, C. Phys. Scr. 1995, T58, 31.
52. Valli, C.; Blondel, C.; Delsart, C. Phys. Rev. A 1999, 59, 3809.
53. Dibeler, V. H.; Walker, J. A. Adv. Mass Spectrom. 1967, 4, 767.
54. Edqvist, O.; Lindholm, E.; Selin, L. E.; Asbrink, L. Phys. Scr. 1970, 1, 25.
55. Dehmer, P. M.; Chupka, W. A. J. Chem. Phys. 1975, 62, 4525.
56. Samson, J. A.; Gardiner, J. L. Can. J. Phys. 1975, 53, 1948.
57. Tonkyn, R. G.; Winniczek, J. W.; White, M. G. Chem. Phys. Lett. 1989, 164, 137.
58. Kong, W.; Hepburn, J. W. Can. J. Phys. 1994, 72, 1284.
59. Song, Y.; Evans, M.; Ng, C. Y.; Hsu, C. W.; Jarvis, G. K. J. Chem. Phys. 1999, 111, 1905.
60. Celotta, R. J.; Bennett, R. A.; Hall, J. L.; Levine, J.; Siegel, M. W. Bull. Am. Phys. Soc. 1971, 16, 212.
61. Burrow, P. D. Chem. Phys. Lett. 1974, 26, 265.
62. Travers, M. J.; Cowles, D. C.; Ellison, G. B. Chem. Phys. Lett. 1989, 164, 449.
63. Martin, J. D. D.; Hepburn, J. W. Phys. Rev. Lett. 1997, 79, 3154.
64. Albritton, D. L.; Moseley, J. T.; Cosby, P. C.; Tadjeddine, M. J. Mol. Spectrosc. 1978, 70, 326.
65. Tadjeddine, M.; Abouaf, R.; Cosby, P. C.; Huber, B. A.; Moseley, J. T. J. Chem. Phys. 1978, 69, 710.
66. Albritton, D. L.; Schmeltekoff, A. L.; Harrop, W. J.; Zare, R. N.; Czarny, J. J. Mol. Spectrosc. 1977, 67, 157.
67. Yoshino, K.; Tanaka, Y. J. Chem. Phys. 1968, 48, 4859.
68. Cosby, P. C.; Huestis, D. L. J. Chem. Phys. 1992, 97, 6108.
69. Pernot, C.; Durup, J.; Ozenne, J. B.; Beswick, J. A.; Cosby, P. C.; Moseley, T. J. Chem. Phys. 1979, 71, 2387.
70. Cosby, P. C.; Ozenne, J. B.; Moseley, J. T.; Albritton, D. L. J. Mol. Spectrosc. 1980, 79, 203.
71. Kong, W.; Hepburn, J. W. Int. J. Mass Spectrom. 1996, 159, 27.
72. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
73. Blyth, R. G. C.; Powis, I.; Danby, C. J. Chem. Phys. Lett. 1981, 84, 272.
74. Hsu, C. W.; Evans, M.; Stimson, S.; Ng, C. Y.; Heimann, P. Chem. Phys. 1998, 231, 121.
75. Song, Y.; Evans, M.; Ng, C. Y.; Hsu, C. W.; Jarvis, G. K. J. Chem. Phys. 1999, 111, 1905.
76. Celotta, R. J.; Bennett, R. A.; Hall, J. L.; Siegel, M. W.; Levine, J. Phys. Rev. A 1972, 6, 631.
77. Kailan, A.; Jahn, S. Z. Anorg. Chem. 1910, 68, 243.
78. Clyne, M. A. A.; McKenney, D. Y.; Thrush, B. A. Trans. Faraday Soc. 1965, 61, 2701.
79. Gunther, P.; Wassmuth, E.; Schryver, L. A. Z. Phys. Chem. A 1932, 158, 297.
80. Takahashi, K.; Kishigami, M.; Taniguchi, N.; Matsumi, Y.; Kawasaki, M. J. Chem. Phys. 1997, 106, 6390.
81. Taniguchi, N.; Takahashi, K.; Matsumi, Y.; Dylewski, S. M.; Geiser, J. D.; Houston, P. L. J. Chem. Phys. 1999, 111, 6350.
82. Herzberg, L.; Herzberg, G. Astrophys. J. 1947, 105, 353.
83. Weiss, M. J.; Berkowitz, J.; Appelman, E. H. J. Chem. Phys. 1977, 66, 2049.
84. Frost, D. C.; Lee, S. T.; McDowell, C. A. Chem. Phys. Lett. 1974, 24, 149.
85. Radwan, T. N.; Turner, D. W. J. Chem. Soc. A 1966, 85.
86. Dyke, J. M.; Golob, L.; Johnatan, N.; Morris, A.; Okuda, M. J. Chem. Soc., Faraday Trans. 2 1974, 1828.
87. Brundle, C. R. Chem. Phys. Lett. 1974, 26, 25.
88. Novick, S. E.; Engelking, P. C.; Jones, P. L.; Futrell, J. H.; Lineberger, W. C. J. Chem. Phys. 1979, 70, 2652.
89. Arnold, D. W.; Xu, C. S.; Kim, E. H.; Neumark, D. M. J. Chem. Phys. 1994, 101, 912.
90. Wang, L. J.; Woo, S. B.; Helmy, E. M. Phys. Rev. A 1987, 35, 759.
91. Herzberg, G. J. Mol. Spectrosc. 1970, 33, 147.
92. Herzberg, G. Phys. Rev. Lett. 1969, 23, 1081.
93. Herzberg, G.; Monfils, A. J. Mol. Spectrosc. 1960, 5, 482.
94. Beutler, H. Z. Phys. Chem. B 1935, 29, 315.
95. Stwalley, W. C. Chem. Phys. Lett. 1970, 6, 241.
96. McCormack, E. F. Ph.D. Thesis, Yale University, 1989.
97. McCormack, E. F.; Eyler, E. E. Phys. Rev. Lett. 1991, 66, 1042.
98. Moore, C. E. Atomic Energy Levels, NSRDS-NBS 35, Vol. I; National Bureau of Standards: Washington, DC, 1971.
99. Balakrishnan, A.; Smith, V.; Stoicheff, B. P. Phys. Rev. A 1994, 49, 2460.
100. Eyler, E. E.; Malikechi, N. Phys. Rev. A 1993, 48, R18.
101. Stoicheff, B. P. Can. J. Phys. 2001, 79, 165.
102. LeRoy, R. J.; Barwell, M. G. Can. J. Phys. 1975, 53, 1983.
103. Balakrishnan, A.; Stoicheff, B. P. J. Mol. Spectrosc. 1992, 156, 517.
104. Balakrishnan, A.; Vallet, M.; Stoicheff, B. P. J. Mol. Spectrosc. 1993, 162, 168.
105. Herzberg, G.; Jungen, C. J. Mol. Spectrosc. 1972, 41, 425.
106. Gilligan, J. M.; Eyler, E. E. Phys. Rev. A 1992, 46, 3676.
107. McCormack, E.; Gilligan, J. M.; Cornaggia, C.; Eyler, E. E. Phys. Rev. A 1989, 39, 2260.
108. Shiner, D.; Gilligan, J. M.; Cook, B. M.; Lichten, W. Phys. Rev. A 1993, 47, 4042.
109. Jungen, C.; Dabrowski, I.; Herzberg, G.; Vervloet, M. J. Chem. Phys. 1990, 93, 2289.
110. Jungen, C.; Dabrowski, I.; Herzberg, G.; Vervloet, M. J. Mol. Spectrosc. 1992, 153, 11.
111. Takezawa, S.; Tanaka, Y. J. Mol. Spectrosc. 1975, 54, 379.
112. Takezawa, S.; Tanaka, Y. J. Chem. Phys. 1972, 56, 6125.
113. Garcia, J. D.; Mack, J. E. J. Opt. Soc. Am. 1965, 55, 654.
114. Erickson, G. W. J. Phys. Chem. Ref. Data 1977, 6, 831.
115. Dehmer, P. M.; Chupka, W. A. Bull. Am. Phys. Soc. 1975, 20, 729.
116. Pekeris, C. L. Phys. Rev. 1962, 126, 1470.
117. Pekeris, C. L. Phys. Rev. 1958, 112, 1649.
118. Hotop, H.; Lineberger, W. C. J. Phys. Chem. Ref. Data 1975, 4, 539.
119. Aashamar, K. Nucl. Instrum. Methods 1970, 90, 263.
120. Lykke, K. R.; Murray, K. K.; Lineberger, W. C. Phys. Rev. A 1991, 43, 6104.
121. Pratt, S. T.; McCormack, E. F.; Dehmer, J. L.; Dehmer, P. M. Phys. Rev. Lett. 1992, 68, 584.
122. Shiell, R. C.; Hu, X.; Hu, O. J.; Hepburn, J. W. Faraday Discuss. 2000, 115, 331.
123. Weitzel, K. M.; Mahnert, J.; Penno, M. Chem. Phys. Lett. 1994, 224, 371.
124. Rossini, F. D. J. Res. Nat. Bur. Stand. 1931, 6, 1.
125. Rossini, F. D. J. Res. Nat. Bur. Stand. 1931, 7, 329.
126. Rossini, F. D. J. Res. Nat. Bur. Stand. 1939, 22, 407.
127. Rossini, F. D. Chem. Rev. 1940, 27, 1.
128. King, R. C.; Armstrong, G. T J. Res. Nat. Bur. Stand. A 1968, 72, 113.
129. Haar, L.; Gallager, J. S.; Kell, G. G. NBS-NRC Steam Tables; Hemisphere: Washington, DC, 1983.
130. Keenan, J. H.; Keyes, F. G.; Hill, P. G.; Moore, J. G. Steam Tables; Wiley: New York, 1969.
131. Reutt, J. E.; Wang, L. S.; Lee, Y. T.; Shirley, D. A. J. Chem. Phys. 1986, 85, 6928.
132. Page, R. H.; Larkin, R. J.; Shen, Y. R.; Lee, Y. T. J. Chem. Phys. 1988, 88, 2249.
133. Child, M. S.; Jungen, C. J. Chem. Phys. 1990, 93, 7756.
134. Tonkyn, R. G.; Wiedmann, R.; Grant, E. R.; White, M. G. J. Chem. Phys. 1991, 95, 7033.
135. LeRoy, R. J.; Bernstein, R. B. J. Mol. Spectrosc. 1971, 37, 109.
136. Radziemski, L. J., Jr.; Kaufman, V. J. J. Opt. Soc. Am. 1969, 59, 424.
137. Berry, R. S.; Reimann, C. W. J. Chem. Phys. 1963, 38, 1540.
138. Trainham, R.; Fletcher, G. D.; Larson, D. J. J. Phys. B 1987, 20, L777.
139. Berzinsh, U.; Gustafsson, M.; Hanstorp, D.; Klinkmuller, A.; Ljungblad, U.; Martenssonpendrill, A. M. Phys. Rev. A 1995, 51, 231.
140. Rossini, F. D. J. Res. Nat. Bur. Stand. 1932, 9, 679.
141. Lacher, J. R.; Kianpour, A.; Getting, F.; Park, J. D. Trans. Faraday Soc. 1956, 52, 1500.
142. Lacher, J. R.; Gottlieb, H. B.; Park, J. D. Trans. Faraday Soc. 1962, 58, 2348.
143. Martin, J. D. D.; Hepburn, J. W. J. Chem. Phys. 1998, 109, 8139.
144. Michel, M.; Korolkov, M. V.; Malow, M.; Brembs, K.; Weitzel, K.-M. Phys. Chem. Chem. Phys. 2001, 3, 2253.
145. Michel, M.; Korolkov, M. V.; Weitzel, K.-M. Phys. Chem. Chem. Phys. 2002, 4, 4083.
146. Krauss, M.; Walker, J. A.; Dibeler, V. H. J. Res. Natl. Bur. Stand. 1968, 72A, 281.
147. Natalis, P.; Pennetreau, P.; Longton, L.; Collin, J. E. J. Electron Spectrosc. 1982, 27, 267.
148. Tonkyn, R. G.; Wiedemann, R. T.; White, M. G. J. Chem. Phys. 1992, 96, 3696.
149. Drescher, M.; Brockhinke, A.; Bowering, N.; Heinzmann, U.; Lefebvre-Brion, H. J. Chem. Phys. 1993, 99, 2300.
150. Colburn, E. A.; Dagenais, M.; Douglas, A. E.; Raymonda, J. W. Can. J. Phys. 1976, 54, 1343.
151. Liden, K. Ark. Fys. 1949, 1, 229.
152. Blondel, C.; Cacciani, P.; Delsart, C.; Trainham, R. Phys. Rev. A 1989, 40, 3698.
153. Dibeler, V. H.; Walker, J. A.; McCulloh, K. E. J. Chem. Phys. 1969, 50, 4592.
154. Berkowitz, J.; Chupka, W. A.; Guyon, P. M.; Holloway, J. H.; Spohr, R. J. Chem. Phys. 1971, 54, 5165.
155. Berkowitz, J.; Chupka, W. A.; Guyon, P. M.; Holloway, J.; Spohr, R. Adv. Mass Spectrom. 1971, 5, 112.
156. Berkowitz, J.; Wahl, A. C. Adv. Fluorine Chem. 1973, 7, 147.
157. Johns, J. W. C.; Barrow, R. F. Proc. R. Soc. London A 1959, 251, 504.
158. Di Lonardo, G.; Douglas, A. E. Can. J. Phys. 1973, 51, 434.
159. Zemke, W. T.; Stwalley, W. C.; Coxon, J. A.; Hijigeorgiou, P. G. Chem. Phys. Lett. 1991, 177, 412.
160. Zemke, W. T.; Stwalley, W. C.; Langhoff, S. R.; Valerrama, G. L.; Berry, M. J. J. Chem. Phys. 1991, 95, 7846.
161. Hepburn, J., value disclosed during the discussion documented in Faraday Trans. 2000, 115, 461.
162. Yencha, A. J.; Lopes, M. C. A.; King, G. C.; Hochlaf, M.; Song, Y.; Ng, C.-Y. Faraday Trans. 2000, 115, 355.
163. Hawtin, P.; Lewis, J. B.; Moul, N.; Phillips, R. H. Philos. Trans. R. Soc. London A 1966, 261, 67.
164. Prosen, E. J.; Jessup, R. S.; Rossini, F. D. J. Res. Nat. Bur. Stand. 1944, 33, 447.
165. Rossini, F. D.; Jessup, R. S. J. Res. Nat. Bur. Stand. 1938, 21, 491.
166. Prosen, E. J.; Rossini, F. D. J. Res. Nat. Bur. Stand. 1944, 33, 439.
167. Dewey, P. H.; Harper, D. R. J. Res. Nat. Bur. Stand. 1938, 21, 457.
168. Jessup, R. S. J. Res. Nat. Bur. Stand. 1938, 21, 475.
169. Lewis, D. C.; Frisch, M. A.; Margrave, J. L. Carbon 1965, 2, 431.
170. Fraser, W. A.; Prosen, E. J. NBS Report D 117; National Bureau of Standards: Washington, DC, 1952.
171. Roth, W. A.; Banse, H. Arch. Eisenhuttenw. 1932, 6, 43.
172. Rossini, F. D. J. Res. Nat. Bur. Stand. 1931, 6, 37.
173. Rossini, F. D. J. Res. Nat. Bur. Stand. 1931, 7, 329.
174. Prosen, E. J.; Rossini, F. D. J. Res. Nat. Bur. Stand. 1945, 34, 263.
175. Pittam, D. A.; Pilcher, G. J. Chem. Soc., Faraday Trans. 1 1972, 68, 2224.
176. Dale, A.; Lythall, C.; Aucott, J.; Sayer, C. Thermochim. Acta 2002, 382, 47.
177. Alexandrov, Yu. I.; Korchagina, E. N.; Chunovkina, A. G. Meas. Tech. 2002, 45, 268.
178. Alexandrov, Yu. I. Thermochim. Acta 2002, 383, 55.
179. Smith, R. P. J. Am. Chem. Soc. 1946, 68, 1163.
180. Jacox, M. E. Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. J. Phys. Chem. Ref. Data, 1994, Monogr. 3.
181. Jacox, M. E. J. Phys. Chem. Ref. Data 1998, 27, 115.
182. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
183. The calculations were performed using the Gaussian 2003 suite: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. 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.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, 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.; Gonzalez, C.; Pople, J. A. Gaussian 03; Gaussian, Inc.: Pittsburgh, PA, 2003.
184. http://www.iupac.org/projects/2003/2003-024-1-100.html.