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Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study

Piech, Krzysztof ; Bally, Thomas ; Ichino, Takatoshi ; Stanton, John

In: Physical Chemistry Chemical Physics, 2013, vol. 16, no. 5, p. 2011–2019

The electronic and vibrational absorption spectra of the radical anion and cation of p-benzoquinone (PBQ) in an Ar matrix between 500 and 40 000 cm⁻¹ are presented and discussed in detail. Of particular interest is the radical cation, which shows very unusual spectroscopic features that can be understood in terms of vibronic coupling between the ground and a very low-lying excited...