Table 2.

TDDFT excitation energies (in eV) for the most intense excitations in the four-coordinate FDBB derivatives calculated using B3LYP/6-31+G*.

Attached groups					State	Energy and Oscillator Strength
#	R1	R2	X	D
8	H	H	H	F	1A”	4.17 (0.25)
9	H	−ph	H	F	1A”	4.17 (0.23)
10	H	−CH3	H	F	1A”	4.15 (0.26)
11	H	−CH3	H	−CH3	1B2	4.19 (0.30)
12	H	−CH3	H	−CN	1A”	4.26 (0.29)
13	H	−CN	H	−CN	1B2	4.32 (0.24)
14	H	−CN	H	F	1A”	4.25 (0.27)
15	H	H	H	−CN	1A”	4.27 (0.28)
16	H	−C≡CH	H	F	1A”	4.20 (0.26)
17	−ph	−ph	H	F	1A”	3.38 (0.91)
18	−phNph2	− (2,4,6-Trii-Pr)ph	−OMe	F	2A	3.17 (1.15)