. 2024 Jan 24;128(5):815–828. doi: 10.1021/acs.jpca.3c05784

Table 2. Illustration of the Concept of the Spin-Alternation-Path Rule for Selected ECP Cases: Correlation of the Number of Coupler’s Atoms along the Selected ECPs between Radical Centers and the Nature of Magnetic Coupling^a.

		series A		series B
diradicals	coupling route	coupler atoms	magnetic coupling	coupler atoms	magnetic coupling
I	red	8	ferromagnetic	7	antiferromagnetic
I	blue	9	ferromagnetic	8	antiferromagnetic
II	red	7	ferromagnetic	6	antiferromagnetic
II	blue	7	ferromagnetic	8	antiferromagnetic
III	red	7	antiferromagnetic	6	ferromagnetic
III	blue	8	antiferromagnetic	7	ferromagnetic
IV	red	9	antiferromagnetic	8	ferromagnetic
IV	blue	10	antiferromagnetic	9	ferromagnetic
V	red	8	ferromagnetic	8	ferromagnetic
V	blue	9	ferromagnetic	9	ferromagnetic
VI	red	9	antiferromagnetic	8	ferromagnetic
VI	blue	10	antiferromagnetic	9	ferromagnetic

Here, the number of atoms along the ECPs listed is reduced by 4 compared to all atoms along a spin-alternating pathway since only coupler atoms are counted.

Table 2. Illustration of the Concept of the Spin-Alternation-Path Rule for Selected ECP Cases: Correlation of the Number of Coupler’s Atoms along the Selected ECPs between Radical Centers and the Nature of Magnetic Couplinga.

Table 2. Illustration of the Concept of the Spin-Alternation-Path Rule for Selected ECP Cases: Correlation of the Number of Coupler’s Atoms along the Selected ECPs between Radical Centers and the Nature of Magnetic Coupling^a.