Table 2.

Comparison of Experimental and Calculated Optical Properties of BF₂bdks 1-10 in CH₂Cl₂ and In Vacuo.

	λmax/nma	ε/M−1cm−1 b	λcalc CH2Cl2/nmc	fd	λcalc in vacuo/nme	ff	Transition Type
1	330	31400	306	0.6111	306	0.4671	π-π*
2	365	49200	364	0.9764	342	0.7761	π-π*
3	376 398i	37100 36300i	372 430	0.9648 0.2791	353	0.8200	π-π* ICT
4	390 467	26900 8100	385 539	0.8325 0.2525	359 498	0.9262 0.1723	π-π* ICT
5	360	39900	338	0.8090	325	0.7202	π-π*
6	397	57000	387	1.0768	361	0.8994	π-π*
7	415	66300	389g,h 422g,h	0.7417 0.6436	367	0.7811	π-π*
8	404 451	29700 11700	403 525	1.2386 0.3155	382 485	0.7828 0.2092	π-π* ICT
9	411	73000	399	1.2893	370	1.1035	π-π*
10	344 380i	34300 9900	338 405	0.7263 0.1541	324 380	0.5522 0.106	π-π* ICT

^aExperimental absorption maxima in dichloromethane.

^bExtinction coefficients calculated at the absorption maxima in dichloromethane.

^cComputed transition wavelength (in dichloromethane medium)

^dComputed oscillator strength (in dichloromethane medium)

^eComputed transition wavelength (in vacuo)

^fComputed oscillator strength (in vacuo)

^gTwo overlapping transitions: ε is proportional to the sum of squares of f’s.

^hComplex 7 exhibits two transitions of roughly comparable energy. These each have some ICT character but are predominately π-π*.

ⁱLow energy ICT band is present as a shoulder.