Theoretical Study on Cyclopeptides as the Nanocarriers for Li⁺, Na⁺, K⁺ and F⁻, Cl⁻, Br⁻

Table 3

Orbital overlap population of {cyclo(Gly)-X⁻} and {cyclo(Gly)-M⁺}.

Complex	M^+–O (e)			X–H (e)
	Li^+	Na^+	K^+	F^−	Br^−	Cl^−
= 4	0.175	0.117	0.07	0.276	0.224	0.195
= 6	0.652	0.502	0.317	0.378	0.341	0.296
= 8	0.502	0.458	0.299	0.246	0.212	0.196