Summary of UV-vis and DFT data.

Compound	λ max (nm)	ΔE (DFT)a (eV)	β tot b (10−30 esu)	μ c (D)
QLD1	800	1.96	1130	24.5
QLD2	790	1.91	1155	23.3
QLD3	798	1.97	1177	24.8
QLD4	801	1.97	1109	24.3
HLD1	745	2.02	969	23.5
HLD2	742	2.02	1027	23.6

^aCalculated from DFT calculations.

^bThe first-order hyperpolarizability in vacuum calculated from DFT calculations.

^cThe total dipole moment.