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

Table 1

The bond length (nm) and binding energy (kJ·mol⁻¹) of {cyclo(Gly)–M⁺}.

Complex	M^+–O/nm	Binding energy/kJ·mol^−1
{cyclo(Gly)4–Li^+}	0.186	207.123
{cyclo(Gly)4–Na^+}	0.222	118.326
{cyclo(Gly)4–K^+}	0.265	44.523
{cyclo(Gly)6–Li^+}	0.221	490.967
{cyclo(Gly)6–Na^+}	0.236	399.866
{cyclo(Gly)6–K^+}	0.267	241.546
{cyclo(Gly)8–Li^+}	0.193	548.325
{cyclo(Gly)8–Na^+}	0.241	415.457
{cyclo(Gly)8–K^+}	0.280	324.474