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Aluminum chlorohydrate I: Structure studies

D L Teagarden, J F Kozlowski, J L White

    Journal of Pharmaceutical Sciences
    |July 1, 1981
    PubMed
    Summary

    Aluminum chlorohydrate forms a spherical AI13 complex with a central aluminum atom. This unique structure explains its synthesis and antiperspirant function.

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    Area of Science:

    • Inorganic Chemistry
    • Materials Science
    • Biophysics

    Background:

    • Aluminum chlorohydrate is a key ingredient in antiperspirants.
    • Its precise molecular structure and charge distribution have been debated.
    • Understanding the structure is crucial for its efficacy and safety.

    Purpose of the Study:

    • To elucidate the detailed structure of the aluminum chlorohydrate complex.
    • To correlate the structural findings with its synthesis and proposed mechanism of action.
    • To provide a definitive structural model for AI13O4(OH)24(H2O)7+12.

    Main Methods:

    • X-ray diffraction (XRD) was employed to determine the atomic arrangement.
    • Infrared (IR) spectroscopy provided insights into functional groups and bonding.
    • 27AI-NMR spectroscopy confirmed the coordination environment of aluminum atoms.

    Main Results:

    • The aluminum chlorohydrate complex, AI13O4(OH)24(H2O)7+12, exhibits a spherical morphology.
    • A central aluminum atom in tetrahedral coordination is surrounded by 12 aluminum atoms in octahedral coordination.
    • A +7 charge is uniformly distributed across the complex surface, balanced by seven chloride counterions.

    Conclusions:

    • The determined structure, featuring a central tetrahedral aluminum and surrounding octahedral aluminum atoms, is consistent with known synthesis methods.
    • This structural model supports the proposed mechanism of antiperspirant activity.
    • The findings offer a comprehensive understanding of aluminum chlorohydrate's molecular architecture.

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