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Rekharsky, Mikhail V.,Yamamura, Hatsuo,Mori, Tadashi,Sato, Akihiro,Shiro, Motoo,Lindeman, Sergey V.,Rathore, Rajendra,Shiba, Kouhei,Ko, Young Ho,Selvapalam, Narayanan,Kim, Kimoon,Inoue, Yoshihisa WILEY-VCH Verlag 2009 Chemistry Vol.15 No.8
<P>Water seeds: Complex stoichiometry/composition and degree of oligomerization (oligomeric supramolecular complex formation) of cucurbit[6]uril (CB[6]) with N-alkyl- and N,N′-dialkylpiperazine were investigated in aqueous solutions by means of isothermal titration calorimetry (ITC), ESI-MS, NMR and light scattering measurements. <img src='wiley_img/09476539-2009-15-8-CHEM200800398-content.gif' alt='wiley_img/09476539-2009-15-8-CHEM200800398-content'> </P><P>Complex stoichiometry/composition and degree of oligomerization (oligomeric supramolecular complex formation) of cucurbit[6]uril (CB[6]) with N-alkyl- and N,N′-dialkylpiperazine were investigated in aqueous solutions by means of isothermal titration calorimetry (ITC), ESI-MS, NMR and light scattering measurements. It was found that the complex stability and the degree of oligomerization increase with elongating the alkyl chain attached to the piperazine core. X-ray crystallographic studies revealed a clear correlation between the structure of CB[6]–alkylpiperazine crystals obtained from aqueous solutions and the molecular weight/properties of host–guest oligomers existed in the solution as supramolecular “seeds” of crystal formation.</P> <B>Graphic Abstract</B> <P>Water seeds: Complex stoichiometry/composition and degree of oligomerization (oligomeric supramolecular complex formation) of cucurbit[6]uril (CB[6]) with N-alkyl- and N,N′-dialkylpiperazine were investigated in aqueous solutions by means of isothermal titration calorimetry (ITC), ESI-MS, NMR and light scattering measurements. <img src='wiley_img/09476539-2009-15-8-CHEM200800398-content.gif' alt='wiley_img/09476539-2009-15-8-CHEM200800398-content'> </P>