Table 4.

Density functional theory calculation for the MMZ compounds.

Compound ID	HOMO (eV)	LUMO (eV)	HLG (eV)
MMZ-33	−0.213	−0.058	0.15
MMZ-39	−0.214	−0.058	0.15
MMZ-45	−0.201	−0.046	0.15
MMZ-140	−0.201	−0.046	0.15
MMZ-147	−0.201	−0.045	0.15
MMZ-148	−0.201	−0.046	0.15
MMZ-167	−0.203	−0.047	0.15