Far-infrared spectrum, ab initio, and DFT calculations and two-dimensional torsional potential function of dimethylallene (3-methyl-l,2-butadiene)

Journal of Physical Chemistry A

Volumn 104, Issue 3, 2000, Pages 514-520

  Bell, Stephen ^a   Groner, Peter ^b   Guirgis, Gamil A ^a   Durig, James R ^c  

^a UNIVERSITY OF DUNDEE   (United Kingdom)

^b UNIVERSITY OF MISSOURI KANSAS CITY   (United States)

^c BAYER CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001177675     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp993376b     Document Type: Article

References (32)

1. Groner, P.; Sullivan, J. F.; Durig, J. R. In Vibrational Spectra and Structure; Durig, J. R., Ed.; Eisevier: Amsterdam, 1981; Vol. 9.
2. Groner, P.; Guirgis, G. A.; Durig, J.R. J. Chem. Phys. 1987, 86, 565.
3. Groner, P.; Durig, J. R. J. Chem. Phys. 1977, 66, 1856.
4. Ha, T.-K.; Groner, P.; Bauder, A.; Günthard, H. H. Chem. Phys. 1978, 33, 27.
5. Crighton, J. S.; Bell, S. J. Mot. Spectrosc. 1986, 118, 383.
6. Ozkabak, A. G.; Philis, J. G.; Goodman, L. J. Am. Chem. Soc. 1990, 112, 7854.
7. Moule, D. C.; Smeyers, Y. G.; Senent, M. L.; Clouthier, D. J.; Karolczak, J.; Judge, R. H. J. Chem. Phys. 1991, 95, 3137.
8. Goodman, L.; Ozkabak, A. G. J. Mol. Struct. 1992, 267, 367.
9. Smeyers, Y. G.; Senent, M. L.; Botella, V.; Moule, D. C. J. Chem. Phys. 1993, 98, 2754.
10. Senent, M. L.; Moule, D. C.; Smeyers, Y. G. J. Phys. Chem. 1995, 99, 7970.
11. Senent, M. L.; Moule, D. C.; Smeyers, Y. G. J. Mol. Struct. 1995, 372, 257.
12. Senent, M. L.; Moule, D. C.; Smeyers, Y. G. Can. J. Phys. 1995, 73, 425.
13. Senent, M. L.; Smeyers, Y. G. J. Chem. Phys. 1996, 705, 2789.
14. Durig, J. R.; Natter, W. J.; Groner, P. J. Chem. Phys. 1977, 67, 4948.
15. Demaison, J.; Rudolph, H. D. J. Mol. Spectrosc. 1971, 40, 445.
16. Demaison, J.; Schwoch, D.; Tan, B. T.; Rudolph, H. D. J. Mol. Spectrosc. 1976, 60, 324.
17. Demaison, J.; Schwoch, D.; Tan, B. T.; Rudolph, H. D. J. Mol. Spectrosc. 1977, 68, 97.
18. Harris, W. C.; Longshore, C. T. J. Chem. Phys. 1972, 57, 4661.
19. Bell, S.; Guirgis, G. A.; Durig, J. R. Spectrochim. Acta Part A 1989, 45, 479.
20. Durig, -J. R.; Bell, S.; Guirgis, G. A. Spectrochim. Acta Part A 1996, 52, 1843.
21. Groner, P. J. Chem. Phys. 1997, 707, 4483.
22. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B, G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; 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.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gatissian 94, Revision B.3; Gaussian, Inc.: Pittsburgh, PA, 1995.
23. Dunning, T. H. J. Chem. Phys. 1970, 53, 2823.
24. Huzinaga, S. J. Chem. Phys. 1965, 42, 1293.
25. Watson, J. K. G. In Vibrational Spectra and Structure; Durig, J. R., Ed.; Elsevier: Amsterdam, 1977; Vol. 6.
26. Bell, S. In Vibrational Spectra and Structure; Durig, J. R., Ed.; Elsevier: Amsterdam, 1999; Vol. 24.
27. Bell, S. Unpublished work.
28. Jarzecki, A. A.; Kozlowski, P. M.; Pulay, P.; Ye, B.-H.; Li, X.-Y. Spectrochim. Acta Part A 1997, 53, 1195.
29. Bauschlicher, C. W.; Langhoff, S. R. Spectrochim. Acta Part A 1996, 53, 1225.
30. Liu, R.; Zhou, X.; Kasmai, H. Spectrochim. Acta Part A 1996,53, 1241.
31. Bell, S.; Guirgis, G. A.; Durig, J. R. J. Phys. Chem. A 1997, 707, 5987.
32. Durig, J. R.; Guirgis, G. A.; Bell, S. J. Phys. Chem. 1991, 93, 3487.