Rotational band contours in the 5000 Å1B1g-1Agelectronic system of p-benzoquinone

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Abstract
Using the technique of computer simulation of rotational band contours the 1–0 band in v 7, band E, in the 5000 Å 1 B 1g -1 Ag system of p-benzoquinone has been rotationally analysed. It is a type A band and the excited state rotational constants are: The excited state inertial defect determined from these constants is -0·8 ± 0·2 uÅ 2. This value is almost certainly due not to non-planarity of the excited state but to a Coriolis interaction between v 7 and perhaps the b 1u vibration v 13. Such an interaction, if it were weak, would affect only the A′ rotational constant. Previous assignments [2] of other type A bands and type B bands in the spectrum are reviewed where possible with the new evidence of the computed contours and the assignments remain largely unaltered.