Hyperfine coupling in methyl radical isotopomers

Journal of Physical Chemistry A

Volumn 111, Issue 42, 2007, Pages 10625-10634

  McKenzie, Iain ^a,b,c   Brodovitch, Jean Claude ^a   Ghandi, Khashayar ^a,d   McCollum, Brett M ^a   Percival, Paul W ^a  

^a SIMON FRASER UNIVERSITY   (Canada)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c UNIVERSITY OF EAST ANGLIA   (United Kingdom)

^d MOUNT ALLISON UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

HYPERFINE COUPLING CONSTANTS (HFCS); METHYL RADICAL ISOTOPOMERS; MUONIATED METHYL RADICAL ISOTOPOMERS; VIBRATIONAL FREQUENCY; ZERO POINT ENERGY;

BOILING POINT; ELECTRIC EXCITATION; ORGANIC COMPOUNDS; SOLVENTS; THERMAL EFFECTS;

ISOTOPES;

DEUTERIUM; DRUG DERIVATIVE; ETHYLENE DERIVATIVE; FREE RADICAL; ISOTOPE; KETENE; KETONE; METHANE; METHYL RADICAL; SOLVENT; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CHEMISTRY; COLD; ELECTRON SPIN RESONANCE; ISOMERISM; TRANSITION TEMPERATURE;

ALGORITHMS; COLD; DEUTERIUM; ELECTRON SPIN RESONANCE SPECTROSCOPY; ETHYLENES; FREE RADICALS; ISOMERISM; ISOTOPES; KETONES; METHANE; SOLVENTS; TRANSITION TEMPERATURE;

EID: 35748983848     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0746190     Document Type: Article

References (75)

1. Herzberg, G.; Shoosmith, J. Can. J. Phys. 1956, 34, 523-525.
2. Milligan, D. E.; Jacox, M. E. J. Chem. Phys. 1967, 47, 5146-5156.
3. Snelson, A. J. Phys. Chem. 1970, 74, 537-544.
4. Pacansky, J.; Bargon, J. J. Am. Chem. Soc. 1975, 97, 6896-6897.
5. Tan, L. Y.; Winer, A. M.; Pimentel, G. C. J. Chem. Phys. 1972, 57, 4028-4037.
6. Yamada, C.; Hirota, E.; Kawaguchi, K. J. Chem. Phys. 1981, 75, 5256-5264.
7. Davis, S.; Anderson, D. T.; Duxbury, G.; Nesbitt, D. J. J. Chem, Phys. 1997, 107, 5661-5675.
8. Schrader, D. M.; Karplus, M. J. Chem. Phys. 1964, 40, 1593-1601.
9. Ohta, K.; Nakatsuji, H.; Maeda, I.; Yonezawa, T. Chem. Phys. 1982, 67, 49-58.
10. Botschwina, P.; Flesch, J.; Meyer, W. Chem. Phys. 1983, 74, 321-338.
11. Chipman, D. M. J. Chem. Phys. 1983, 78, 3112-3132.
12. Barone, V.; Grand, A.; Minichino, C.; Subra, R. J. Chem. Phys. 1993, 99, 6787-6798.
13. Bickelhaupt, F. M.; Ziegler, T.; Schleyer, P.; von, R. Organometallics 1996, 15, 1477-1487.
14. Tachikawa, H.; Igarashi, M.; Ishibashi, T. Chem. Phys. Lett. 2002, 352, 113-119.
15. Al Derzi, A. R.; Fau, S.; Bartlett, R. J. J. Phys. Chem. A 2003, 107, 6656-6667.
16. Kochi, J. K. In Advances in Free Radical Chemistry; Williams, G. H., Ed.; Academic Press: New York, 1975; Volume 5, pp 189-316.
17. Weil, J. A.; Bolton, J. R.; Wertz, J. E. Electron Paramagnetic Resonance; John Wiley & Sons: New York, 1994.
18. Atherton, N. M. Principles of Electron Spin Resonance; Ellis Horwood Prentice Hall: New York, 1993.
19. Jen, C. K.; Foner, S. N.; Cochran, E. L.; Bowers, V. A. Phys. Rev. 1958, 112, 1169-1182.
20. Fessenden, R. W.; Schuler, R. H. J. Chem. Phys. 1963, 39, 2147-2195.
21. Zlochower, I. A.; Miller, W. R., Jr.; Fraenkel, G. K. J. Chem. Phys. 1965, 42, 3339-3340.
22. Zeldes, H.; Livingston, R. J. Chem. Phys. 1966, 45, 1946-1954.
23. Fessenden, R. W. J. Phys. Chem. 1967, 71, 74-83.
24. Jackel, G. S.; Gordy, W. Phys. Rev. 1968, 176, 443-452.
25. Fischer, H.; Hefter, H. Z. Naturforsch. A 1968, 23, 1763-1765.
26. Riveros, J. M.; Shih, S. J. Chem. Phys. 1969, 50, 3132-3133.
27. Greatorex, D.; Kemp, T. J. J. Chem. Soc., Faraday Trans I 1972, 68, 121-128.
28. Hill, D. J. T.; O'Donnell, J. H.; Pomery, P. J.; Whittaker, A. K. J. Photochem. 1984, 26, 255-267.
29. Cooley, L. F. Ph.D. Thesis, Brown University, 1987.
30. Yamada, T.; Komaguchi, K.; Shiotani, M.; Benetis, N. P.; Sørnes, A. R. J. Phys. Chem. A 1999, 103, 4823-4829.
31. Dmitriev Yu, A.; Zhitnikov, R. A. J. Low Temp. Phys. 2001, 122, 163-170.
32. Dmitriev Yu, A.; Zhitnikov, R. A. Low Temp. Phys. 2003, 29, 519-521.
33. Dmitriev Yu, A. Physica B 2004, 352, 383-389.
34. Danilczuk, M.; Pogocki, D.; Lund, A.; Michalik, J. J. Phys. Chem. B 2006, 110, 24492-24497.
35. Komaguchi, K.; Nomura, K.; Shiotani, M. J. Phys. Chem. A 2007, 111, 726-733.
36. Popov, E.; Kiljunen, T.; Kunttu, H.; Eloranta, J. J. Chem. Phys. 2007, 126, 134504 (10 pages).
37. Roduner, E. In Isotope effects in chemistry and biology; Kohen, A., Limbach, H.-H., Eds.; CRC Press: Boca Raton, FL, 2005.
38. Walker, D. C. Muon and Muonium Chemistry; Cambridge University Press: Cambridge, U.K., 1983.
39. Percival, P. W.; Brodovitch, J.-C.; Leung, S. K.; Yu, D.; Kiefl, R. F.; Luke, G. M.; Venkateswaran, K.; Cox, S. F. J. Chem. Phys. 1988, 127, 137-147.
40. Yu, D.; Percival, P. W.; Brodovitch, J.-C.; Leung, S. K.; Kiefl, R. F.; Venkateswaran, K.; Cox, S. F. J. Chem. Phys. 1990, 142, 229-236.
41. Roduner, E. The Positive Muon as a Probe of Free Radical Chemistry; Lecture Notes in Chemistry 49; Springer-Verlag: Berlin, 1988.
42. Rhodes, C. J. J. Chem. Soc., Perkins Trans 2 2002, 1379-1396.
43. McKenzie, I.; Brodovitch, J.-C.; Ghandi, K.; Kecman, S.; Percival, P. W. Physica B 2003, 326, 76-80.
44. McKenzie, I.; Brodovitch, J.-C.; Percival, P. W.; Ramnial, T.; Clyburne, J. A. C. J. Am. Chem. Soc. 2003, 125, 11565-11570.
45. Addison-Jones, B. Ph.D. Thesis, Simon Fraser University, 2000.
46. Addison-Jones, B.; Percival, P. W.; Brodovitch, J.-C.; Ji, F.; Sharma, D.; Wlodek, S. Hyperfine Interact. 1994, 87, 847-851.
47. Addison-Jones, B.; Percival, P. W.; Brodovitch, J.-C.; Ji, F. Hyperfine Interact. 1997, 106, 143-149.
48. McKenzie, I.; Addison-Jones, B.; Brodovitch, J.-C.; Ghandi, K.; Kecman, S.; Percival, P. W. J. Phys. Chem. A 2002, 106, 7083-7085.
49. Bennett, J. E.; Mile, B. J. Chem. Soc., Faraday Trans. 1 1973, 69, 1398-1414.
50. Improta, R.; Barone, V. Chem. Rev. 2004, 104, 1231-1253.
51. Barone, V.; Minichino, C.; Faucher, H.; Subra, R.; Grand, A. Chem. Phys. Lett. 1993, 205, 324-330.
52. Rega, N.; Cossi, M.; Barone, V. J. Am. Chem. Soc. 1997, 119, 12962-12967.
53. Adamo, C.; Heitzmann, M.; Meilleur, F.; Rega, N.; Scalmani, G.; Grand, A.; Cadet, J.; Barone, V. J. Am. Chem. Soc. 2001, 123, 7113-7117.
54. Vögel, A. I. Vögel's Textbook of Practical Organic Chemistry, 5th ed., revised by Furniss, B. S.; Longman: London. 1989, pp 100-102.
55. Andreades, S.; Carlson, H. D. Org. Synth., Collect. Vol. V 1973, 679-684.
56. Fisher, G. J.; MacLean, A. F.; Schnizer, A. W. J. Org. Chem. 1953, 18, 1055-1057.
57. Percival, P. W.; Addison-Jones, B.; Brodovitch, J.-C.; Ghandi, K.; Schüth, J. Can. J. Chem. 1999, 77, 326-331.
58. Frisch, M. J.; et al. Gaussian 03, Revision B.04, Gaussian, Inc., Pittsburgh PA, 2003.
59. Becke, A. D. J. Chem. Phys. 1993, 98, 1372-1377.
60. McKenzie, I.; Addison-Jones, B.; Brodovitch, J.-C.; Ghandi, K.; Percival, P. W. PhysChemComm 2001, 27, 1-3.
61. NIST Computational Chemistry Comparison and Benchmark Database; NIST Standard Reference Database No. 101, Release 12, Aug 2005; Johnson, R. D., III.; Ed.; http://srdata.nist.gov/cccbdb.
62. McConnell, H. M.; Chesnut, D. B. J. Chem. Phys. 1958, 28, 107-117.
63. Roduner, E.; Reid, I. D. Isr. J. Chem. 1989, 29, 3-11.
64. Reddoch, A. H.; Konishi, S. J. Chem. Phys. 1979, 70, 2121-2130.
65. Al-Bala'a, I.; Bates, Jr., R. D. J. Magn. Reson. 1987, 73, 78-89.
66. Fernández, B.; Christiansen, O.; Bludsky, O.; Jørgensen, P.; Mikkelsen, K. V. J. Chem. Phys. 1996, 104, 629-635.
67. Jursic, B. S. Chem. Phys. Lett. 1995, 244, 263-268.
68. Wang, B.-Q.; Li, Z.-R.; Wu, D.; Hao, X.-Y.; Li, R.-J.; Sun, C.-C. Chem. Phys. Lett. 2003, 375, 91-95.
69. Solimannejad, M.; Alikhani, M. E. Chem. Phys. Lett. 2005, 406, 351-354.
70. Tachikawa, H. J. Phys. Chem. A 1998, 102, 7065-7069.
71. Igarashi, M.; Ishibashi, T.; Tachikawa, H. J. Mol. Struct.-THEOCHEM 2002, 594, 61-69.
72. Takada, T.; Tachikawa, H. Int. J. Quantum Chem. 2005, 105, 79-83.
73. Stratt, R. M.; Desjardins, S. G. J. Am. Chem. Soc. 1984, 106, 256-257.
74. Enthalpy of Vaporization. CRC Handbook of Chemistry and Physics, Internet Version 2007, 87th ed.; Lide; D. R., Ed.; Taylor and Francis: Boca Raton, FL, 2007.
75. Yaws, C. L. Chemical Properties Handbook; McGraw-Hill: New York, 1999.