Table 3. Experimental and Calculated ZFS Parameters for the Free and Bound Porphyrin Oligomers with Two to Four Porphyrin Units.

	Experiment		B3LYP/EPRII
	|D| [MHz]	|E| [MHz]	|D| [MHz]	|E| [MHz]
P2	1117 ± 9	284 ± 2	609	72
P2·T6a	890 ± 25	51 ± 15	468	51
P3	1169 ± 7	269 ± 2	456	84
P3·T6	621 ± 6	102 ± 2	270	36
P4	1195 ± 8	273 ± 2	465	60
P4·T6	486 ± 12	48 ± 3	243	6

^aZFS parameters estimated based on a simulation of the EPR spectrum as a linear combination of free (P2) and bound (P2·T6) dimer (0.85:0.15).