Table 6.

. LUMO coefficients and charge densities for the selected atoms in compounds 5–7 obtained by DFT-B3LYP calculations.

Compounds	5		6		7
LUMO (a.u.)	−0.101		−0.095		−0.081
Atoms	Cketone	Cester	Cketone	Cester	Cketone	Cester
LUMO coeff.	0.099	0.009	0.111	0.007	0.120	0.007
Charge density	0.233	0.293	0.231	0.293	0.230	0.297