Molecular and lattice structures of some long chain length (nc = 8 to 18, inclusive), sodium n-alkanoates have been adduced from Fourier Transform Infrared (FT-IR) spectroscopy, X-ray powder diffraction and density measurements. Lattice parameters in conjunction with density measurements, infrared data and molecular calculations are used to propose molecular packing and lattice structures. Furthermore, the data suggests that metal carboxylate bonding is via asymmetric chelating bidentate mode to form monomeric units, held together by head group intermolecular interactions. Interpretation of the X-ray data show that all compounds are crystallized in a monoclinic crystal system with possible P1 symmetry. Additionally, odd-even alternation is observed in the methyl group chemical shift, asymmetric stretching frequencies and melting points. These are ascribed to the relative vertical distances between layers within a lamellar, which are not in the same plane.    

Room temperature molecular and lattice structures for a homologous series of anhydrous sodium(I) <i>n</i>-alkanoates

244th National Meeting (2012)

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Room temperature molecular and lattice structures for a homologous series of anhydrous sodium(I) n-alkanoates