Isotope Exchange in Ionized O3O2 Mixtures: The Role of O5+, a Unique On+ Complex

Inorganic Chemistry

Volumn 37, Issue 6, 1998, Pages 1398-1400

  Cacace, Fulvio ^a   Cipollini, Romano ^a   De Petris, Giulia ^a   Pepi, Federico ^a   Rosi, Marzio ^b   Sgamellotti, Antonio ^a  

^a SAPIENZA UNIVERSITY OF ROME   (Italy)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000270341     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic970622u     Document Type: Article

References (20)

1. Mauresberger, K. Geophys. Res. Lett. 1981, 8, 935.
2. Krankowsky, D.; Bartecki, F.; Kless, G. G.; Mauresberger, K.; Schellenbach, K. Geophys. Res. Lett. 1995, 22, 1713.
3. Cacace, F.; Speranza, M. Science 1994, 265, 208.
4. Smith, D.; Spanel, P. Mass Spectrom, Rev. 1995, 14, 253.
5. Su, T.; Bowers, M. T. In Gas Phase Ion Chemistry: Bowers, M. T., Ed.; Academic Press: New York. 1979; Chapter 3.
6. Su, T.; Chesnavich, W. J. J. Chem. Phys. 1982, 76, 5183.
7. Lugez, C. L.; Thompson, W. E.; Jacox, M. E. J. Chem. Phys. 1996, 105, 2153.
8. Knight, L. B.; Cobranchi, S. T.; Petty, J. J. Chem. Phys. 1989, 91, 4423, and references therein.
9. Barnes, L. A.; Lindh, R. Chem. Phys. Lett. 1994, 223, 207.
10. Weiss, M. T.; Berkowitz, J.; Appelman, E. H. J. Chem. Phys. 1977, 66, 2049.
11. The calculations were performed utilizing the B3LYP hybrid functional, according to Stevens, P. J.; Devlin, F. G.; Chabalowski, C. F.; Frisch, C. F. J. Phys. Chem. 1994, 98, 11623. Single-point calculations at the optimized geometries were performed using the coupled-cluster single- and double-excitation method (See: Bardett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.) with a perturbational estimate of the triple-excitation [CCSD(T)] approach, as described by Ragavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479, and references therein. The 6-31G(d) and 6-311G(d) basis sets were used, according to Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 80, 3265 and references therein, all calculations being performed utilizing Gaussian 94, Revision C3. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheesman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Ragavachari, 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. J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C3; Gaussian Inc.: Pittsburgh, PA, 1995.
12. The calculations were performed utilizing the B3LYP hybrid functional, according to Stevens, P. J.; Devlin, F. G.; Chabalowski, C. F.; Frisch, C. F. J. Phys. Chem. 1994, 98, 11623. Single-point calculations at the optimized geometries were performed using the coupled-cluster single- and double-excitation method (See: Bardett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.) with a perturbational estimate of the triple-excitation [CCSD(T)] approach, as described by Ragavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479, and references therein. The 6-31G(d) and 6-311G(d) basis sets were used, according to Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 80, 3265 and references therein, all calculations being performed utilizing Gaussian 94, Revision C3. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheesman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Ragavachari, 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. J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C3; Gaussian Inc.: Pittsburgh, PA, 1995.
13. The calculations were performed utilizing the B3LYP hybrid functional, according to Stevens, P. J.; Devlin, F. G.; Chabalowski, C. F.; Frisch, C. F. J. Phys. Chem. 1994, 98, 11623. Single-point calculations at the optimized geometries were performed using the coupled-cluster single- and double-excitation method (See: Bardett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.) with a perturbational estimate of the triple-excitation [CCSD(T)] approach, as described by Ragavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479, and references therein. The 6-31G(d) and 6-311G(d) basis sets were used, according to Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 80, 3265 and references therein, all calculations being performed utilizing Gaussian 94, Revision C3. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheesman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Ragavachari, 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. J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C3; Gaussian Inc.: Pittsburgh, PA, 1995.
14. The calculations were performed utilizing the B3LYP hybrid functional, according to Stevens, P. J.; Devlin, F. G.; Chabalowski, C. F.; Frisch, C. F. J. Phys. Chem. 1994, 98, 11623. Single-point calculations at the optimized geometries were performed using the coupled-cluster single- and double-excitation method (See: Bardett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.) with a perturbational estimate of the triple-excitation [CCSD(T)] approach, as described by Ragavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479, and references therein. The 6-31G(d) and 6-311G(d) basis sets were used, according to Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 80, 3265 and references therein, all calculations being performed utilizing Gaussian 94, Revision C3. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheesman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Ragavachari, 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. J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C3; Gaussian Inc.: Pittsburgh, PA, 1995.
15. The calculations were performed utilizing the B3LYP hybrid functional, according to Stevens, P. J.; Devlin, F. G.; Chabalowski, C. F.; Frisch, C. F. J. Phys. Chem. 1994, 98, 11623. Single-point calculations at the optimized geometries were performed using the coupled-cluster single- and double-excitation method (See: Bardett, R. J. Annu. Rev. Phys. Chem. 1981, 32, 359.) with a perturbational estimate of the triple-excitation [CCSD(T)] approach, as described by Ragavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479, and references therein. The 6-31G(d) and 6-311G(d) basis sets were used, according to Frisch, M. J.; Pople, J. A.; Binkley, J. S. J. Chem. Phys. 80, 3265 and references therein, all calculations being performed utilizing Gaussian 94, Revision C3. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheesman, J. R.; Keith, T.; Peterson, G. A.; Montgomery, J. A.; Ragavachari, 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. J. P.; Head-Gordon, M.; Gonzales, C.; Pople, J. A. Gaussian 94, Revision C3; Gaussian Inc.: Pittsburgh, PA, 1995.
16. Conway, D. C; Janik, G. S. J. Chem. Phys. 1970, 53, 1859.
17. Lias, S. G.; Bartmess, J. E.; Liebman, J. F.; Holmes, J. L.; Levin, R. D.; Mallard, W. G. J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1.
18. Scott, A. P.; Radom, L. J. Phys. Chem. 1996, 100, 16502.
19. Kofel, P.; Allemann, M.; Kellerhals, H. P.; Wanczek, K. P. Int. J. Mass Spectrom. Ion Processes 1985, 65, 97.
20. Bartmess, J. E.; Georgiadis, R. M. Vacuum 1983, 33, 149.