Electrospray ionization mass spectrometric analysis of self-assembled 1,1′-ferrocenedicarboxylic acid

AbstractSelf-assembly of 1,1′-ferrocenedicarboxylic acid in solution was detected by electrospray mass spectrometry (ESI-MS). The ESI mass spectra showed the acid was self-assembled as a cyclic tetramer in methanol and acetonitrile, and the tetramer was found to complex more strongly with the sodium ion than with any other alkali metal ion. The result was supported by semiempirical molecular orbital calculations, which indicate that the tetramer possesses a cyclic structure like a pseudo-crown ether, and its internal diameter is consistent with the diameter of a sodium ion