Integrated Study of the Dinitrobenzene Electroreduction Mechanism by Electroanalytical and Computational Methods

Table 4

Spin density (𝜌) distribution in NNB RA.

RA	NO		NO2
	𝜌N	𝜌𝑂	𝜌𝑁	𝜌𝑂
3-NNB	0.381	0.332	0.014	−0.015
4-NNB	0.685	0.456	−0.059	−0.050