Calculation of standard electrode potential of half reaction for benzoquinone and hydroquinone

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Yuanzhi SongWen Xie

Abstract

Geometric parameters, the vibrational frequencies and thermochemical values of benzoquinone and hydroquinone were computed using ab initio molecular orbital calculations (HF) and density function theory (B3LYP) methods with the 6-31G(d) basis set, respectively. The calculated frequencies for benzoquinone and hydroquinone were used for the assignment of the IR frequencies observed in the experimental IR spectrum. Cyclic voltammetry with a glassy carbon electrode of hydroquinone solutions in phosphate buffers at pH 7.0 showed that standard electrode potential of half reaction for benzoquinone and hydroquinone is 0.714V. Standard electrode potential of half reaction for benzoquinone and hydroquinone was calculated using the sum of electronic and thermal free energies, enthalpies of sublimation and energies of solvation for benzoquinone and hydroquinone.

References

Oct 21, 1988·Cell·J A Chambers

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Citations

Jul 2, 2010·Computers in Biology and Medicine·Yuan-Zhi SongJi-Min Xie
Mar 10, 2009·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Yuan-zhi SongXu-dong Zhong
Oct 13, 2006·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Yuanzhi Song
Aug 13, 2013·BioMed Research International·Francisco J Enguita, Ana Lúcia Leitão

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