EPR detection of HNO 2 .- in the radiolysis of aqueous nitrite and quantum chemical calculation of its stability and hyperfine parameters

Journal of Physical Chemistry A

Volumn 108, Issue 31, 2004, Pages 6599-6604

  Hug, Gordon L ^a   Camaioni, Donald M ^b   Carmichael, Ian ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN COUPLING; HYDROXIDE ION; HYPERFINE PARAMETERS; SOLVATION;

COUPLED CIRCUITS; DEMODULATION; DISSOCIATION; HYDROGEN; IONS; NITRIC ACID; PARAMETER ESTIMATION; RATE CONSTANTS; SOLUTIONS; THERMODYNAMIC PROPERTIES;

RADIOLYSIS;

EID: 4143055687     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp049487e     Document Type: Article

References (31)

1. Mezyk, S. P.; Bartels, D. M. J. Phys. Chem. 1997, 101, 6233-6237.
2. Lymar, S. V.; Schwarz, H. A.; Czapski, G. J. Phys. Chem. A 2002, 106, 7245-7250.
3. Grätzel, M.; Henglein, A.; Lilie, J.; Beck, G. Ber. Bunsen-Ges. 1969, 73, 646-653.
4. Adrian, F. J.; Cochran, E. L.; Bowers, V. A. J. Chem. Phys. 1969, 51, 1018-1025.
5. Symons, M. C. R.; Zimmerman, D. N. J. Chem. Soc., Faraday Trans. 1 1976, 72, 409-416.
6. van Doren, J. M.; Viggiano, A. A.; Morris, R. A.; Stevens-Miller, A. E.; Miller, T. M.; Paulson, J. F.; Deakyne, C. A.; Michels, H. H.; Montgomery, J. A., Jr. J. Chem. Phys. 1993, 98, 7940-7950.
7. Gutsev, G.; Jena, P.; Bartlett, R. J. J. Chem. Phys. 1999, 110, 403-411.
8. Sengupta, D.; Sumathi, R.; Peyerimhoff, S. D. Chem. Phys. 1999, 248, 147-159.
9. Verma, N. C.; Fessenden, R. W. J. Chem. Phys. 1976, 65, 2139-2155.
10. Fessenden, R. W.; Hornak, J. P.; Venkataraman, B. J. Chem. Phys. 1981, 74, 3694-3704.
11. Madden, K. P.; McManus, H. J. D.; Fessenden, R. W. Rev. Sci. Instrum. 1994, 65, 49-57.
12. Fessenden, R. W. Chemically induced electron polarization of radiolytically produced radicals. In Chemically Induced Magnetic Polarization; Muus, L. T., Atkins, P. W., McLauchlan, K. A., Pedersen, J. B., Eds.; D. Reidel Publishing Co.: Dordrecht, Holland, 1977.
13. Elliot, A. J.; Chenier, M. P.; Ouellette, D. C. J. Chem. Soc., Faraday Trans. 1993, 89, 1193-1197.
14. Behar, D.; Fessenden, R. W. J. Phys. Chem. 1972, 76, 1706-1710.
15. Duncanson, I. B. Fusion 1993, XL, 26.
16. Hug, G. L.; Fessenden, R. W. J. Phys. Chem. A 2000, 104, 7021-7029.
17. Wisniowski, P.; Carmichael, I.; Fessenden, R. W.; Hug, G. L. J. Phys. Chem. A 2002, 106, 4573-4580.
18. Torrey, H. C. Phys. Rev. 1949, 76, 1059-1068.
19. Bloch, F. Phys. Rev. 1946, 70, 460-474.
20. Slichter, C. P. Principles of Magnetic Resonance, 2nd ed.; Springer-Verlag: Berlin, Germany, 1978.
21. Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera, S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.; Balková, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Hober, C.; Bartlett, R. J. ACES II, Quantum Theory Project, University of Florida, 1997.
22. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; AlLaham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98; Gaussian, Inc.: Pittsburgh, PA, 1998.
23. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796-6806.
24. Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968-5875.
25. Purvis, G. D., III; Bartlett, R. J. J. Chem. Phys. 1982, 76, 1910-1918.
26. Klamt, A.; Schüürmann, G. J. Chem. Soc., Perkin Trans. 2 1993, 799-805.
27. Barone, V.; Cossi, M. J. Phys. Chem. A 1998, 102, 1995-2001.
28. Foresman, J. B.; Keith, T. A.; Wiberg, K. B.; Snoonian, J.; Frisch, M. J. J. Phys. Chem. 1996, 100, 16098-16104.
29. Serianni, A. S.; Wu, J.; Carmichael, I. J. Am. Chem. Soc. 1995, 117, 8645-8650.
30. Chemical Induced Magnetic Polarization; Muus, L. T., Atkins, P. W., McLauchlan, K. A., Pedersen, J. B., Eds.; D. Reidel: Bordrecht, Holland, 1977.
31. Buxton, G. V.; Greenstock, C. L.; Helman, W. P.; Ross, A. B. J. Phys. Chem. Ref. Data 1988, 17, 513-886.