Effect of methyl rotation on the electronic spectrum of the methyl peroxy radical

Journal of Chemical Physics

Volumn 127, Issue 4, 2007, Pages

  Just, Gabriel M P ^a   McCoy, Anne B ^a   Miller, Terry A ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMAL MAPPING; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; ENERGY BARRIERS; SPECTRUM ANALYSIS;

METHYL PEROXY RADICAL; METHYL ROTATION; TORSIONAL SEQUENCE STRUCTURE;

ORGANIC COMPOUNDS;

EID: 34547564798     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2747613     Document Type: Article

References (16)

1. H. E. Hunziker and H. R. Wendt, J. Chem. Phys. 64, 3488 (1976).
2. O. J. Nielsen and T. J. Wallington, The Chemistry of Free Radicals Peroxyl Radicals (Wiley, New York, 1997), p. 69.
3. J. A. Jafri and D. H. Phillips, J. Am. Chem. Soc. 112, 2586 (1990).
4. M. B. Pushkarsky, S. J. Zalyubovsky, and T. A. Miller, J. Chem. Phys. 112, 10695 (2000).
5. T. A. Miller, Mol. Phys. 104, 2581 (2006).
6. D. B. Atkinson and J. L. Spillman, J. Phys. Chem. A 106, 8891 (2002).
7. H. B. Fu, Y. J. Hu, and E. R. Bernstein, J. Chem. Phys. 125, 014310 (2006).
8. C.-Y. Chung, C.-W. Cheng, Y.-P. Lee, H.-Y. Liao, E. N. Sharp, P. Rupper, and T. A. Miller, J. Chem. Phys. 127, 044311 (2007), following paper.
9. S. Wu, P. Dupŕ, P. Rupper, and T. A. Miller (unpublished).
10. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
11. C. C. Lin and J. D. Swalen, Rev. Mod. Phys. 31, 841 (1959).
12. J. T. Hougen, I. Kleiner, and M. Godefroid, J. Mol. Spectrosc. 163, 559 (1994).
13. L.-H. Xu and J. T. Hougen, J. Mol. Spectrosc. 173, 540 (1995).
14. E. Herbst, J. K. Messer, F. C. DeLucia, and P. Helminger, J. Mol. Spectrosc. 108, 42 (1984).
15. F. C. DeLucia, E. Herbst, T. Anderson, and P. Helminger, J. Mol. Spectrosc. 134, 395 (1989).
16. T. Anderson, E. Herbst, and F. C. DeLucia, J. Mol. Spectrosc. 159, 410 (1993).