. 2023 Sep 29;88(20):14831–14835. doi: 10.1021/acs.joc.3c01807

Table 1. Isomerization Stabilization Energies, ISEs,^a and Intensities of the Magnetically Induced Current Densities, MICDs,^b for the Parent 6π Molecules in Comparison with Their 7π Radical Anions and 5π Radical Cations.

molecules		benzene	pyridine	1,2-diazine	1,3-diazine	1,4-diazine	pyrrole	furan
6πe	ISE	33.5	32.5	34.0	32.1	32.6	21.6	14.9
	MICD	12.0	11.5	11.0	10.7	11.2	11.5	10.2
7πe	ISE	6.7	8.0	11.2	6.4	10.7	^c	–3.7
	MICD	–47.4	–25.0	–15.7	–22.6	–13.9	12.4^d	24.0
5πe	ISE	7.4	^c	29.4^c	^c	21.6^d	1.0	0.0
	MICD	–17.3	11.9^d	12.3^d	10.7^d	14.8^d	–17.2	12.0

ISE in kcal/mol.

MICD in nA/T.

Two molecules involved in the ISE equation do not have an equal number of π electrons because the π system of the nonaromatic reference system is reduced/oxidized.

The system has 6π electrons. The electron is removed from the σ framework of the molecule.

Table 1. Isomerization Stabilization Energies, ISEs,a and Intensities of the Magnetically Induced Current Densities, MICDs,b for the Parent 6π Molecules in Comparison with Their 7π Radical Anions and 5π Radical Cations.

Table 1. Isomerization Stabilization Energies, ISEs,^a and Intensities of the Magnetically Induced Current Densities, MICDs,^b for the Parent 6π Molecules in Comparison with Their 7π Radical Anions and 5π Radical Cations.