Computational electrochemistry: Aqueous two-electron reduction potentials for substituted quinones

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 97-102

  Namazian, Mansoor ^a   Almodarresieh, Hora A ^a  

^a YAZD UNIVERSITY   (Iran)

Author keywords

Ab initio calculations; Electrode potentials; Quinones; Solvation model

Indexed keywords

QUINONE DERIVATIVE;

AQUEOUS SOLUTION; ARTICLE; CALCULATION; CHEMICAL REACTION; ELECTROCHEMISTRY; ELECTRODE; ENTROPY; OXIDATION REDUCTION REACTION;

EID: 84961974418     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.016     Document Type: Article

References (27)

1. J.E. Heffner, J.C. Raber, O.A. Moe, and C.T. Wigal J. Chem. Edu. 75 1998 365
2. R.G. Compton, P.M. King, C.A. Reynolds, W.G. Richards, and A.M. Waller J. Electroanal. Chem. 258 1989 79
3. S. das, A. Bhattacharya, P.C. Mandal, M.C. Rath, and T. Mukherjee Radiat. Phys. Chem. 65 2002 93
4. C. Olea-Azar, F. Mendizabal, J. Alarcon, R. Briones, B.K. Cassels, T. Delgado-Castro, and R. Araya-Maturana Spectrochim. Acta, Part A 57 2001 1889
5. C.A. Reynolds, P.M. King, and W.G. Richards Nature 334 1988 80
6. F.C. de Abreu, P.A. de L. Ferraz, and M.O.F. Goulart J. Braz. Chem. Soc. 13 1 2002 19
7. P. Winget, E.J. Weber, C.J. Cramer, and D.G. Truhlar Phys. Chem. Chem. Phys. 2 2000 1231
8. C.A. Reynolds, P.M. King, and W.G. Richards J. Chem. Soc. Chem. Commun. 1988 1434
9. B.J. Smith, and L. Radom J. Phys. Chem., 95 1991 10549
10. M. Jalali-Heravi, M. Namazian, and T.E. Peacock J. Electroanal. Chem. 385 1995 1
11. M. Jalali-Heravi, and M. Namazian J. Electroanal. Chem. 425 1997 139
12. L. Onsager J. Am. Chem. Soc. 58 1936 1486
13. M.W. Wong, M.J. Frisch, and K.B. Wiberg J. Am. Chem. Soc. 113 1991 4776
14. R.A. Pierotti Chem. Rev. 76 1976 717
15. I. Tvaroska, and T. Kozar J. Am. Chem. Soc. 102 1980 6929
16. R.R. Birge, M.J. Sullivan, and B.E. Kohler J. Am. Chem. Soc. 98 1976 358
17. M. Namazian, P. Norouzi, and R. Ranjbar J. Mol. Struct. (Theochem) 625 2003 235
18. M. Namazian J. Mol. Struct. (Theochem) 664-665 2003 273
19. C.O. Silva, E.C. da Silva, and M.A.C. Nascimento J. Phys. Chem. A 104 2000 2402
20. H.S. Rzepa, and G.A. Suner J. Chem. Soc., Chem. Commun. 1993 1743
21. S.G. Lister, C.A. Reynolds, and W.G. Richards Int. J. Quantum Chem. 41 1992 293
22. J.B. Foresman, and A.E. Frisch Exploring Chemistry With Electronic Structure Methods 1998 Gaussian Inc. Pittsburgh, PA
23. S. Miertus, E. Scrocco, and J. Tomasi Chem. Phys. 55 1981 117
24. V. Barone, and M. Cossi J. Phys. Chem. A 102 1998 1995
25. M. Cossi, and V. Barone J. Phys. Chem. A 104 2000 10614
26. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, J.A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
27. C.A. Reynolds J. Am. Chem. Soc. 112 1990 7545