The unprecedented selective encapsulation of
trans-[Co(en)
2Cl
2]
+ from the mixture of trans and cis isomers intothe cavity of macrocyclic cavitand cucurbit[8]uril (C
48H
48N
32O
16, CB[8]) leads to the inclusion compound {
trans-[Co(en)
2Cl
2]@CB[8]}Cl·17H
2O (
1). Single-crystal X-ray analysis,
1H NMR, and ESI-MS spectra confirm the formationof host-guest complex
1 in both solid state and solution. The geometry of the complex cation alters significantlyupon inclusion, which causes appreciable hypsochromic shifts of the absorption bands of the guest complex. Accordingto TGA data, inclusion of
trans-[Co(en)
2Cl
2]
+ dramatically stabilizes the complex toward thermal decomposition.Encapsulation of
trans-[Co(en)
2Cl
2]
+ into the CB[8] cavity also increases the stability of the metal complex towardisomerization into the cis form. The supramolecular adduct {
cis-[Co(en)
2(H
2O)
2](CB[8])
6}Cl
3·ca109.5H
2O (
2) wasisolated only after prolonged heating of an aqueous solution of
1 at 120
C in an evacuated tube; it was characterizedby X-ray crystallography, IR, and elemental analysis.