Table 2.

Calculated Energies (in Hartree^a) of Certain Chlorins and Bacteriochlorins at Positions -5, 10- and 20^b

Position-20		Position-10	Position-5
Ring D reduced
6	−4334.3282435	−4334.325446	−4334.3174495
7	−4409.5330262	−4409.5308662	−4409.5151262
8	−4645.4141285	−4645.4120693	−4645.3961645
9	−4408.3363894	−4408.3355856	−4408.3290654
11	−4606.1070822	−4606.1049602	−4606.0890733
Ring B reduced
14	−4408.3244631	−4408.3393993	−4408.3328343
16	−4645.4012942	−4645.4144882	−4645.4006457
Rings B & D reduced
17	−4409.5395198	−4409.5458701	−4409.5387054

^a1 hartree = 629.51 kcal mol⁻¹.

^bMost stable energy values are presented by bold numbers.