Theoretical Study of Copper Complexes: Molecular Structure, Properties, and Its Application to Solar Cells

Table 3

Chemical reactivity parameters using DFT descriptors.

Copper complex	Chemical reactivity descriptors (eV)
	𝐼	𝐴	χ	η	ω
CuL4	9.79	4.47	7.13	2.66	9.55
CuL6	10.15	4.53	7.34	2.81	9.58
CuL7	9.74	4.13	6.94	2.80	8.58
CuL8	9.35	4.26	6.80	2.54	9.10
CuL9	9.57	4.44	7.01	2.56	9.58