Table 3.

The lowest ten singlet states for RibCbl received from TDDFT/TZVP PCM (water) calculations.

	E(eV)	λ (nm)	f	Coeff.			Character
S1	2.28	543.4	0.0150	27	142 → 145	H-2 → L	dxz + π → π*
				56	143 → 145	H-1 → L	π + dyz/dz2 → π*
				15	144 → 145	H → L	dyz + π → π*
S2	2.39	518.9	0.0353	74	144 → 145	H → L	dyz + π → π*
S3	2.45	506.4	0.0597	61	142 → 145	H-2 → L	dxz + π → π*
				29	143 → 145	H-1 → L	π + dyz/dz2 → π*
S4	2.62	473.5	0.0024	97	141 → 145	H-3 → L	dx2−y2 → π*
S5	2.86	434.0	0.0043	62	144 → 146	H → L+1	dyz + π → dxy −n + π*
				16	140 → 145	H-4 → L	nRib/σRib → π*
S6	2.90	427.7	0.0235	62	140 → 145	H-4 → L	nRib/σRib → π*
				23	143 → 146	H-1 → L+1	π + dyz/dz2 → dxy −n + π*
S7	2.94	421.8	0.0186	53	143 → 146	H-1 → L+1	π + dyz/dz2 → dxy −n + π*
				14	140 → 145	H-4 → L	nRib/σRib → π*
				14	144 → 146	H → L+1	dyz + π → dxy −n + π*
S8	3.02	410.0	0.0053	59	144 → 148	H → L+3	dyz + π → σ*(dz2) + n
				20	144 → 147	H → L+2	dyz + π → dxy −n + π*
S9	3.09	401.4	0.0185	55	144 → 147	H → L+2	dyz + π → dxy −n + π*
				19	144 → 148	H → L+3	dyz + π → σ*(dz2) + n
S10	3.16	392.7	0.0112	35	139 → 145	H-5 → L	πIm → π*
				33	143 → 148	H-1 → L+3	π + dyz/dz2 → σ*(dz2) + n
				15	143 → 147	H-1 → L+2	π + dyz/dz2 → dxy −n + π*
				9	138 → 145	H-6 → L	π + dyz → π*