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. 2010 Oct 18;6:992–1001. doi: 10.3762/bjoc.6.112

Table 2.

HOMO-LUMO energy gap and change in dipole moment due to ICT.

Substrate ΔE (eV)a Ep(ox) (V)b Ep(red) (V)b ΔE (eV)c

1a 3.42 +1.60 −2.14 3.74
1b 3.41 +1.65 −2.02 3.67
1c 3.30 +1.68 −1.85 3.53
1d 3.27 +1.66 −1.70 3.36
1e 3.20 +1.63 −1.63 3.26
1f 3.19
1g 2.97 +0.76 −2.27 3.03

aHOMO–LUMO energy gap estimated on the basis of absorption data, bat 0.1 Vs−1 scan rate, cHOMO–LUMO energy gap estimated on the basis of electrochemical data.