Infrared-induced isomerization of ethanol dimers trapped in argon and nitrogen matrices: Monochromatic irradiation experiments and DFT calculations

Journal of Physical Chemistry A

Volumn 104, Issue 23, 2000, Pages 5475-5483

  Coussan, S ^a   Alikhani, M E ^b   Perchard, J P ^b   Zheng, W Q ^c  

^a UNIVERSITY OF BERN   (Switzerland)

^b SORBONNE UNIVERSITÉ   (France)

^c UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; DIMERS; INFRARED RADIATION; ISOMERIZATION; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NITROGEN; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; PROTONS; SOLIDS; SURFACES;

DENSITY FUNCTIONAL THEORY; MONOCHROMATIC IRRADIATION;

ETHANOL;

EID: 0033722136     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0001283     Document Type: Article

References (25)

1. Bakkas, N.; Loutellier, A.; Racine, S.; Perchard, J. P. J. Chim. Phys. 1993, 90, 1703.
2. Bakkas, N.; Bouteiller, Y.; Loutellier, A.; Perchard, J. P.; Racine, S. J. Chem. Phys. 1993, 99, 3335.
3. Coussan, S.; Loutellier, A.; Perchard, J. P.; Racine, S.; Peremans, A.; Tadjeddine, A.; Zheng, W. Q. J. Chem. Phys. 1997, 107, 6526.
4. Coussan, S.; Bouteiller, Y.; Loutellier, A.; Perchard, J. P.; Racine, S.; Peremans, A.; Tadjeddine, A.; Zheng, W. Q. Chem. Phys. 1997, 219, 221.
5. Coussan, S.; Loutellier, A.; Perchard, J. P.; Racine, S.; Peremans, A.; Tadjeddine, A.; Zheng, W. Q. Chem. Phys. 1997, 225, 279.
6. Coussan, S.; Bouteiller, Y.; Perchard, J. P.; Zheng, W. Q. J. Phys. Chem. A 1998, 102, 5789.
7. Ehbrecht, M.; Huisken, F. J. Phys. Chem. A 1997, 101, 7768.
8. Kieninger, M.; Suhai, S. Int. J. Quantum Chem. 1994, 52, 465.
9. Gonzáles, L.; Mó, O.; Yáñez, M.; Elguero, J. J. Mol. Struct.: THEOCHEM 1996, 371, 1.
10. Mó, O.; Yáñez, M.; Elguero, J. J. Chem. Phys. 1997, 107, 3592.
11. Hagemeister, F. C; Gruenloh, C. J.; Zwier, T. S. J. Phys. Chem. A 1998, 102, 82.
12. Gonzáles, L.; Mo, O.; Yáñez, M. J. Chem. Phys. 1998, 109, 139.
13. Gonzáles, L.; MO, O.; Yáñez, M. J. Chem. Phys. 1999, 111, 3855.
14. Frish, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Jonhson, B. G.; Womg, M. W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, R. L.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. GAUSSIAN, Revision D. 4; Gaussian: Pittsburgh, PA, 1995.
15. Becke, A. D. J. Chem. Phys. 1993, 95, 5648.
16. Lee, C.; Wans, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
17. Asselin, M.; Sandorfy, C. Can. J. Chem. 1971, 49, 1539.
18. Barnes, A. J.; Hallam, H. E. Trans. Faraday Soc. 1970, 66, 1932.
19. Bakkas, N.; Bouteiller, Y.; Loutellier, A.; Perchard, J. P.; Racine, S.; J. Chem. Phys. 1993, 99, 3335.
20. Bakkas, N.; Bouteiller, Y.; Loutellier, A.; Perchard, J. P.; Racine, S. Chem. Phys. Lett. 1995, 232, 90.
21. Graener, H.; Ye, T. Q.; Laubereau, A.; J. Chem. Phys. 1989, 90, 3413.
22. Laenen, R.; Rauscher, C. /. Chem. Phys. 1997, 106, 8974.
23. Laenen, R.; Rauscher, C.; Laubereau, A. Chem. Phys. Lett. 1998, 283, 7.
24. Laenen, R.; Rauscher, C. J. Mol. Struct. 1998, 448, 115.
25. Laenen, R.; Simeonidis, K. Chem. Phys. Lett. 1998, 292, 631.