Methyl versus aryl CH and CD stretching overtone intensities in the vapor phase spectra of toluenes

Journal of Physical Chemistry A

Volumn 101, Issue 14, 1997, Pages 2589-2596

  Kjaergaard, Henrik G ^a   Turnbull, David M ^a   Henry, Bryan R ^a  

^a UNIVERSITY OF GUELPH   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000237324     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963100t     Document Type: Article

References (31)

1. Hayward, R. J.; Henry, B. R. J. Mol. Spectrosc. 1975, 57, 221.
2. Henry B. R. Acc. Chem. Res. 1977, 10, 207.
3. Mortensen, O. S.; Henry, B. R.; Mohammadi, M. A. J. Chem. Phys. 1981, 75, 4800.
4. Child, M. S.; Lawton, R. T. Faraday Discuss. Chem. Soc. 1981, 71, 273.
5. Sage, M. L.; Jortner, J. Adv. Chem. Phys. 1981, 47, 293.
6. Child, M. S.; Halonen, L. Adv. Chem. Phys. 1984, 57, 1.
7. Henry, B. R. Acc. Chem. Res. 1987, 20, 429 and references therein.
8. Kjaergaard, H. G.; Henry, B. R. J. Phys. Chem. 1995, 99, 899.
9. Kjaergaard, H. G.; Henry, B. R. J. Phys. Chem. 1996, 100, 4749.
10. Chen, P. C.; Wu, C. W. J. Phys. Chem. 1995, 99, 15023.
11. Chakraborty, T.; Kofron, W. G.; Lim, E. C.; Siebrand, W.; Zgierski, M. Z.; Zerbetto, F.; Wojcik, M. J.; Boczar, M. Unpublished results.
12. Kreiner, W. A.; Rudolph, H. D.; Tan, B. J. Mol. Spectrosc. 1973, 48, 86.
13. Kjaergaard, H. G.; Yu, H.; Schattka, B. J.; Henry, B. R.; Tarr, A. W. J. Chem. Phys. 1990, 93, 6239.
14. Kjaergaard, H. G.; Henry, B. R.; Tarr, A. W. J. Chem. Phys. 1991, 94, 5844.
15. Turnbull, D. M.; Kjaergaard, H. G.; Henry, B. R. Chem. Phys. 1995, 195, 129.
16. Reddy, K. V.; Heller, D. F.; Berry, M. J. J. Chem. Phys. 1982, 76, 2814.
17. Gough, K. M.; Henry, B. R. J. Phys. Chem. 1984, 88, 1298.
18. Kjaergaard, H. G.; Henry, B. R. J. Chem. Phys. 1992, 96, 4841.
19. Kjaergaard, H. G.; Turnbull, D. M.; Henry, B. R. J. Chem. Phys. 1993, 99, 9438.
20. Mortensen, O. S.; Ahmed, M. K.; Henry, B. R.; Tarr, A. W. J. Chem. Phys. 1985, 72, 3903.
21. Anastasakos, L.; Wildman, T. A. J. Chem. Phys. 1993, 99, 9453.
22. Cavagnat, D.; Lespade, L.; Lapouge, C. J. Chem. Phys. 1995, 103, 10502.
23. Zhu, C.; Kjaergaard, H. G.; Henry, B. R. Unpublished results.
24. Atkins, P. W. Molecular Quantum Mechanics, 2nd ed.; Oxford University: Oxford, 1983.
25. Henry, B. R.; Sowa, M. G. Prog. Anal. Spectrosc. 1989, 12, 349.
26. Henry, B. R.; Kjaergaard, H. G.; Niefer, B.; Schattka, B. J.; Turnbull, D. M. Can. J. Appl. Spectrosc. 1993, 38, 42.
27. Spectra Calc is commercially available product from Galactic Industries Corporation. Marquardt's nonlinear least-squares fitting algorithm is used: Marquardt, D. W. J. Soc. Ind. Appl. Math. 1963, 11, 431.
28. Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.: Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 92, Revision E.1; Gaussian Inc.: Pittsburgh, PA, 1992.
29. Press, W. H.; Flannery, B. F.; Teukolsky, S. A.; Vetterling, W. T. Numerical Recipes in C; Cambridge University: Cambridge, 1988.
30. Kjaergaard, H. G.; Henry, B. R. Mol. Phys. 1994, 83 1099.
31. Kjaergaard, H. G.; Daub, C.; Henry, B. R. Mol. Phys., in press.