Polarized infrared absorption spectrum of matrix-isolated methylperoxyl radicals, CH3OO X̃ 2A″

Journal of Physical Chemistry A

Volumn 106, Issue 33, 2002, Pages 7547-7556

  Nandi, Sreela ^a   Blanksby, Stephen J ^a   Zhang, Xu ^a   Nimlos, Mark R ^a,b   Dayton, David C ^b   Ellison, G Barney ^a  

^a UNIVERSITY OF COLORADO   (United States)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; BAND STRUCTURE; FREE RADICALS; INFRARED SPECTROSCOPY; ISOTOPES; POLARIZATION;

POLARIZED INFRARED ABSORPTION SPECTRUM;

HYDROCARBONS;

EID: 0037158684     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0126816     Document Type: Article

References (44)

1. Ravishankara, A.R. Annu. Rev. Phys. Chem. 1988, 39, 367.
2. Madrouich S.; Greenberg J.; Paulson S. Carbon-Containing Compounds. In Atmospheric Chemistry Global Change 1st ed.; Brasseur G.P. Orlando J.J. Tyndall G.S. Eds.; Oxford University Press: New York 1999; p 325.
3. Chemical Processes in Atmospheric Oxidation; Le Bras, G., Ed.; Springer: Berlin, 1997; Vol. 3. Chapter 2, §2.1, 2.3, and 2.4.
4. Finlayson-Pitts, B.J.; Pitts, J.N., Jr. Science 1997, 276, 1045.
5. Lightfoot, P.D.; Cox, R.A.; Crowley, J.N.; Destriau, M.; Hayman, G.D.; Jenkin, M.E.; Moortgat, G.K.; Zabel, F. Atmos. Environ. 1992, 26A, 1805.
6. Ellison, G.B.; Tuck, A.F.; Vaida, V. J. Geophys. Res.-Atmos. 1999, 104, 11633.
7. Pruppacher, H.R.; Klett, J.D. Microphysics of Clouds and Precipitation, 2nd ed.; Kluwer Academic Publishing: Dordrecht, Holland, 1997; Chapter 9, Heterogeneous Nucleation. See §9.2, Ice Forming Nuclei, pp 309-360.
8. Bertram, A.K.; Ivanov, A.V.; Hunter, M.; Molina, L.T.; Molina, M.J. J. Phys. Chem. A. 2001, submitted.
9. Tyndall, G.S.; Wallington, T.J.; Ball, J.C. J. Phys. Chem. 1998, 102, 2547.
10. Friderichsen, A.V.; Radziszewski, J.G.; Nimlos, M.R.; Winter, P.R.; Dayton, D.C.; David, D.E.; Ellison, G.B. J. Am. Chem. Soc. 2001, 123, 1977.
11. Nandi, S.; Arnold, P.A.; Carpenter, B.K.; Nimlos, M.R.; Dayton, D.C.; Ellison, G.B. J. Phys. Chem. A 2001, 105, 7514.
12. Chen, P. Spectroscopy and Photochemistry in Supersonic Jets. Ph.D. Thesis, Chemistry, Yale, 1987.
13. Kohn, D.W.; Clausberg, H.; Chen, P. Rev. Sci. Instrum. 1992, 63, 4003.
14. Rohrs, H.W.; Wickham-Jones, C.T.; Ellison, G.B.; Berry, D.; Argrow, B.M. Rev. Sci. Instrum. 1995, 66, 2430.
15. Renaud, R.; Leitch, L.C. Can. J. Chem. 1954, 32, 545.
16. Morse, A.T.; Massiah, T.F.; Leitch, L.C. Can. J. Chem. 1959, 37, 1.
17. Hatt, L.M. J. Chem. Phys. 1990, 93, 3161.
18. Voss, M. Adsorption and Reaction of Small Molecules and Radicals on Metal Alloys and Molecular Solids. Ph.D. Thesis Thesis, Chemistry, University of Southern California, 1998.
19. Brown, A.L.; Dayton, D.C.; Nimlos, M.R.; Daily, J.W. Chemosphere 2001, 42, 663.
20. Clifford, E.P.; Wenthold, P.G.; Gareyev, R.; Lineberger, W.C.; DePuy, C.H.; Bierbaum, V.M.; Ellison, G.B. J. Chem. Phys. 1998, 109, 10293.
21. Hunziker, J.E.; Wendt, H.R. J. Chem. Phys. 1976, 64, 3488.
22. Pushkarsky, M.B.; Zalyubovsky, S.J.; Miller, T.A. J. Chem. Phys. 2000, 112, 10695.
23. Goddard, W.A., III.; Harding, L.B. Annu. Rev. Phys. Chem. 1978, 29, 363.
24. Bair, R.A.; Goddard, W.A., III. J. Am. Chem. Soc. 1982, 104, 2719.
25. Blanksby, S.J.; Ramond, T.M.; Davico, G.E.; Nimlos, M.R.; Kato, S.; Bierhaumb, V.M.; Lineberger, W.C.; Ellison, G.B.; Okumura, M. J. Am. Chem. Soc 2001, in press.
26. Berkowitz, J.; Ellison, G.B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744.
27. Ochterski, J.W.; Petersson, G.A.; Montgomery, J.A. J. Chem. Phys. 1996, 104, 2598.
28. Cotton, F.A. Chemical Applications of Group Theory, 3rd ed.; John Wiley & Sons: New York, 1990; Chapter 10.
29. Pilar, F.L. Elementary Quantum Chemistry; McGraw-Hill: New York, 1968; see §14.7.
30. Shimanouchi, T. Tables of Molecular Vibrational Frequencies; National Bureau of Standards, 1972; Vol. I.
31. Frisch, M.J.; Trucks, G.W.; Schlegel, H.B.; Scuseria, G.E.; Robb, M.A.; Cheeseman, J.R.; Zakrzewski, V.G.; Montgomery, J.A., Jr.; Stratmann, R.E.; Burant, J.C.; Dapprich, S.; Millam, J.M.; Daniels, A.D.; Kudin, K.N.; Strain, M.C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G.A.; Ayala, P.Y.; Cui, Q.; Morokuma, K.; Malick, D.K.; Rabuck, A.D.; Raghavachari, K.; Foresman, J.B.; Cioslowski, J.; Ortiz, J.V.; Baboul, A.G.; Stefanov, B.B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R.L.; Fox, D.J.; Keith, T.; Al-Laham, M.A.; Peng, C.Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P.M.W.; Johnson, B.; Chen, W.; Wong, M.W.; Andres, J.L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E.S.; Pople, J.A., Gaussian 98, A.7; Gaussian Inc.: Pittsburgh, PA, 1998.
32. 2COCl, and the production and detection of propargyl radical in an Argon matrix. Ph.D. Thesis, Chemistry and Biochemistry, University of Colorado, 1999.
33. 18O.
34. Cyvin, B.N.; Cyvin, S.J.; Snelson, A. Z. Anorg. Allg. Chem. 1986, 542, 193.
35. Chettur, G.; Snelson, A. J. Phys. Chem. 1987, 91, 913.
36. Chettur, G.; Snelson, A. J. Phys. Chem. 1987, 91, 3483.
37. Chettur, G.; Snelson, A. J. Phys. Chem. 1987, 91, 5873.
38. Michl, J.; Thulstrup, E.W. Spectroscopy with Polarized Light; VCH: New York, 1996.
39. Wong, M.W. Chem. Phys. Lett. 1996, 256, 391.
40. Scott, A.P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
41. Jacox, M.E. J. Mol. Spectrosc. 1985, 113, 286.
42. Jacox, M.E. Chem. Phys. 1994, 189, 149.
43. Hatt, H.H. Organic Syntheses; Blatt, A.H., Ed.; 1943; Vol. II; p 208.
44. Jacox, M.E. Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules; American Chemical Society: Washington, DC, 1994.