Abstract
The geometric parameters, vibrational frequencies, and thermochemical values of p-quinonimine (p-AQ) and p-aminophenol (p-AP) were computed ab initio (IIF) and by the density functional theory (DFT) method with the 6-31G(d, p) basis set. Cyclic voltammetry with a golden electrode of p-AP solutions in phosphate buffers at pH 7.30 showed that the standard electrode potential of half reaction for p-QI and p-AP was 0.728 V. The standard electrode potentials of half reactions for p-QI and p-AP were calculated using the free energies and solvation energies of p-QI, p-AP, p-benzoquinone (p-BQ), and hydroquinone (p-HQ). The results showed that the standard electrode potential of half reaction for p-QI and p-AP was 0.743 V at the B3LYP/6-31G(d, p) level and 0.755 V at the HF/6-31G(d, p) level. The standard electrode potentials computed at the B3LYP/6-31G(d, p) and HF/6-31G(d, p) levels were close to their experimental values.
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References
Y. Song, Y. Song, W. Xie, and D. Shi, Russ. J. Phys. Chem. 80, 1467 (2006).
H. Yang and A. J. Bard, J. Electroanal. Chem. 339, 423 (1992).
N. Yamada, K. Teshima, N. Kobayashi, and R. Hirohashi, J. Electroanal. Chem. 394, 71 (1995).
J. Chiang and A. G. MacDiarmid, Synth. Met. 13, 193 (1986).
M. Gattrell and D. W. Kirk, J. Electrochem. Soc. 139, 2736 (1992).
R. Lapuente, F. Cases, P. Garces, et al., J. Electroanal. Chem. 451, 163 (1998).
R. Andreozzi, M. S. Lo Casale, R. Martota, et al., Water Res. 34, 4419 (2000).
W. Sun, K. Jiao, S. Zhang, and Z. Zhang, Anal. Chem. Acta 434(1), 43 (2001).
Sh. Taj, M. F. Ahmed, and S. Sankarapapavinasam, J. Electroanal. Chem. 338, 347 (1992).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian (Gaussian Inc., Pittsburgh, PA, 2003).
GaussView 3.0 (Gaussian Inc., Pittsburgh, PA).
R. Bonaccorsi, R. Cimiraglia, and J. Tomasi, Comput. Chem. 4 (1983).
J. L. Pascualahuir, E. Silla, J. Tomasi, and R. J. Bonaccorsi, Comput. Chem. 8, 778 (1987).
S. Miertus, E. Scrocco, and J. Tomasi, Chem. Phys. 55, 117 (1981).
C. J. Brown, Acta Crystallogr. 4, 100 (1951).
W. Caminati, S. Melandri, and L. B. Favero, J. Chem. Phys. 100, 8569 (1994).
K. Hagen and K. J. Hedbery, J. Chem. Phys. 58, 158 (1973).
NIST chemistry webBook (http://webbook.nist.gov/chemistry).
Y. Yamauchi, M. Frisch, J. Gaw, and H. F. Schaefer, J. Chem. Phys. 84, 2262 (1986).
D. Pulay, G. Fogarasi, F. F. Pang, and J. E. Boggs, J. Am. Chem. Soc. 101, 2550 (1979).
T. Stepanenko, L. Lapinski, M. J. Nowak, et al., Spectrochim. Acta, Part A 57, 375 (2001).
A. P. Scott and L. J. Radom, J. Phys. Chem. 100 16502 (1996).
V. A. Basiuk, Spectrochim. Acta, Part A 57, 1271 (2001).
J. Wang, Analytical Electrochemistry, 2nd ed. (Wiley, New York, 2000).
D. Dobos, Electrochemical Data (New York, 1975).
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Song, Y.Z., Xie, J.M., Song, Y. et al. Theoretical and experimental studies of the electrochemistry of p-aminophenol on a golden electrode. Russ. J. Phys. Chem. 81, 1669–1676 (2007). https://doi.org/10.1134/S0036024407100238
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DOI: https://doi.org/10.1134/S0036024407100238