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Ferrocene as a Hydrophobic Templating Agent with Pyrogallol[4]arenes



Andrew V. Mossine, Harshita Kumari, Drew A. Fowler, Andrew K. Maerz, Steven R. Kline, Charles L. Barnes, Jerry L. Atwood


Cocrystallization of C-methylpyrogallol[4]arene (PgC1) and ferrocene in a methanolic solution led to the formation of two distinct crystalline products featuring two substantially different host-guest environs . The first of these features an exclusively hydrophobic tubular cavity containing highly mobile ferrocene molecules. The overall assembly is stabilized by an extensive hydrogen-bonding framework involving the upper rim of the PgC1 molecules. The second structure contains dimers of PgC1 sealed at the upper rims via hydrogen bonding interactions with four water molecules. The cavity thus generated is small and contains a single highly ordered ferrocene molecule. Small- Angle Neutron Scattering (SANS) was used to determine the identity of these assemblies in solution. The dimeric moiety was found to fit well as a polydisperse sphere with a radius of 6.67Å, which was similar to the radius determined from the crystal structure of 6.742Å. The tube, however, did not fit as a cylinder in solution but instead as a polydisperse sphere with a radius of 7.02 Å, indicating either a high degree of fragmentation or interconversion into the dimer.
Israel Journal of Chemistry


organo-metallic, templating, calixarene, SANS


Mossine, A. , Kumari, H. , Fowler, D. , Maerz, A. , Kline, S. , Barnes, C. and Atwood, J. (2011), Ferrocene as a Hydrophobic Templating Agent with Pyrogallol[4]arenes, Israel Journal of Chemistry, [online], (Accessed April 13, 2024)
Created July 10, 2011, Updated October 12, 2021