. 2025 Apr 28;16(22):9920–9933. doi: 10.1039/d4sc08696a

Table 3. Calculated BFPI values, bond current strengths (J, in nA T⁻¹), EDDB (in a.u.), and I_ring (in a.u.) values for periodo-derivatives of polycyclic (anti)aromatic hydrocarbons.

	BFPI [Å]		J [nA T⁻¹]	EDDB	I _ring
C₈I₆	0.000	C₈	−14.8	2.511	0.517
C₈I₆	0.000	I₆	0.5	0.214	0.040
C₈I₆²⁺	0.000	C₈	3.1	4.481	0.546
C₈I₆²⁺	0.000	I₆	1.0	0.530	−0.052
C₁₀I₈	6.779	C₁₀	8.6	5.918	0.575
C₁₀I₈	6.779	I₈	0.3	0.252	0.080
C₁₀I₈²⁺	2.772	C₁₀	10.5	7.085	0.592
C₁₀I₈²⁺	2.772	I₈	21.4	5.825	0.204
C₁₄I₁₀	9.466	C₁₄	6.4	8.130	0.557
C₁₄I₁₀	9.466	I₁₀	−0.2	0.301	0.068
C₁₄I₁₀²⁺	7.554	C₁₄	8.3	8.916	0.571
C₁₄I₁₀²⁺	7.554	I₁₀	9.6	6.089	0.141
C₁₆I₁₀	9.079	C₁₆	10.2	7.233	0.545
C₁₆I₁₀	9.079	I₁₀	0.1	0.266	0.087
C₁₆I₁₀²⁺	7.318	C₁₆	13.7	7.656	0.562
C₁₆I₁₀²⁺	7.318	I₁₀	12.9	6.146	0.155

Table 3. Calculated BFPI values, bond current strengths (J, in nA T−1), EDDB (in a.u.), and Iring (in a.u.) values for periodo-derivatives of polycyclic (anti)aromatic hydrocarbons.