Table 3. Calculated Interaction Energies between CBPPs-OH Models and Different Analytes and Optimized Values of r(H-N) in 1-Phenylethylamine and r(H–C) in Limonene Complexes.

	1-phenylethylamine		limonene
material	Eint(R) (kJ mol–1)	Eint(S) (kJ mol–1)	Eint(R) (kJ mol–1)	Eint(S) (kJ mol–1)
(R)-CBPPSo1	–102	–78	–51	–80
(S)-CBPPSu	–82	–88	–56	–58
	r(H-N)(R) (Å)	r(H-N)(S) (Å)	r(H–C)(R) (Å)	r(H–C)(S) (Å)
(R)-CBPPSo1	1.804	1.750	2.332	2.641
(S)-CBPPSu	1.835	1.844	2.347	2.356