Table 1 Ultraviolet–visible absorption spectra of fourteen compounds in methanol calculated with ωB97XD/6-311++G(2d, p) method

1

H-1 → L (64.6)

H → L + 1 (56.5)

H-3 → L (76.5)

H-1 → L + 1 (86.6)

2

H → L (46.8)

H-1 → L + 1 (64.2)

H-3 → L (56.9)

H → L + 5 (15.6)

H-1 → L + 4 (15.9)

H-3 → L + 5 (30.4)

3

H → L (76.9)

H-5 → L + 1 (49.0)

H-2 → L (88.7)

H-4 → L + 4 (27.0)

H-1 → L + 5 (42.2)

H-4 → L + 12 (25.0)

4

H → L (79.7)

H → L + 15 (43.4)

H-2 → L (79.8)

H-3 → L + 2 (41.6)

H-3 → L + 2 (18.0)

H-1 → L + 15 (57.2)

5

H-5 → L (66.7)

H → L + 7 (32.4)

H-3 → L + 7 (28.4)

H → L (27.5)

H-3 → L + 5 (30.6)

H → L + 2 (26.4)

6

H-4 → L (57.0)

H → L + 9 (35.5)

H-3 → L + 4 (28.8)

H-1 → L + 4 (28.8)

H-3 → L + 4 (39.3)

H-3 → L + 4 (30.9)

7

H → L + 2 (93.3)

H → L + 8 (24.8)

H → L + 17 (48.9)

H-3 → L + 3 (37.7)

H → L (23.7)

H-3 → L + 3 (28.2)