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PubMed · 11561898

Calcium phosphate clusters.

N Kanzaki·G Treboux·K Onuma·S Tsutsumi·A Ito
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Abstract

The potential energy surfaces associated with [Ca3(PO4)2n clusters are analyzed in detail using ab initio calculations for n ranging from one to four. Considering separated clusters, energy criteria favor the so-called Posner's cluster Ca9(PO4)6, which is the core of the actual structural model of amorphous calcium phosphate. This is rationalized through the existence of a distinct CaO bonding pattern in this cluster. Considering aggregated clusters as a possible model for amorphous calcium phosphate, the aggregation of Ca3(PO4)2 clusters appears as an alternative to Posner's hypothesis.

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Biocompatible MaterialsCalcium PhosphatesMacromolecular SubstancesMaterials TestingModels, ChemicalSurface PropertiesThermodynamicsJournal Article

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N Kanzaki, G Treboux, K Onuma, S Tsutsumi, A Ito. 2001. Calcium phosphate clusters.. https://doi.org/10.1016/s0142-9612(01)00039-4

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