Table 2.

The lowest ten triplet states for RibCbl received from TDDFT/TZVP gas phase calculations.

	E (eV)	λ (nm)	Coeff.			Character
T1	1.72	720.0	49	144 → 145	H → L	dyz + π →π*
T2	1.94	639.9	48	143 → 145	H-1 → L	π + dxz/dz2 →π*
T3	2.15	577.6	47	142 → 145	H-2 → L	dxz + π →π*
T4	2.25	551.8	35	144 → 146	H → L+1	dyz + π → dxy −n + π*
			10	144 → 147	H → L+2	dyz + π → dxy −n + π*
T5	2.39	518.7	30	142 → 146	H-2 → L+1	dxz + π → dxy −n + π*
			8	142 → 147	H-2 → L+2	dxz + π → dxy −n + π*
T6	2.47	501.4	28	141 → 145	H-3 → L	nRib/σRib + dx2−y2 + π→π*
			18	140 → 145	H-4 → L	dx2−y2 → π*
T7	2.48	499.6	26	140 → 145	H-4 → L	dx2−y2 →π*
			18	141 → 145	H-3 → L	nRib/σRib + dx2−y2 + π→π*
T8	2.52	491.2	29	140 → 146	H-4 → L+1	dx2−y2 → dxy −n + π*
			12	140 → 147	H-4 → L+2	dx2−y2→ dxy −n + π*
			5	141 → 146	H-3 → L+1	nRib/σRib + dx2−y2 + π→ dxy −n + π*
T9	2.55	487.0	15	144 → 148	H → L+3	dyz + π→ σ*(dz2) + n
			9	144 → 147	H → L+2	dyz + π→ dxy −n + π*
			8	143 → 146	H-1 → L+1	π + dxz/dz2 → dxy −n + π*
			5	144 → 146	H → L+1	dyz + π→ dxy −n + π*
T10	2.58	479.8	11	143 → 148	H-1 → L+3	π + dxz/dz2 → σ*(dz2)+ n
			10	143 → 146	H-1 → L+1	π + dxz/dz2 → dxy −n + π*
			6	144 → 148	H → L+3	dyz + π→ σ*(dz2) + n
			6	143 → 147	H-1 → L+2	π + dxz/dz2 → dxy −n + π*
			4	144 → 147	H → L+2	dyz + π→ dxy −n + π*
			4	142 → 147	H-2 → L+2	dxz + π→ dxy −n + π*