title: Effect of high external pressures on the vibrational spectra of biomedical materials: calcium hydroxyapatite and calcium fluoroapatite.
abstract: Infrared and Raman spectra of the principal mineral component of human hard tissue, calcium hydroxyapatite, Ca10(PO4)6(OH)2, or HAP, and the analogous calcium fluoroapatite, Ca10(PO4)6F2, or FAP, have been recorded, using a diamond-anvil cell, at pressures ranging from ambient to 30 kbar. For FAP, the absence of any discontinuities in the slopes of the nu (cm-1) versus P (kbar) plots for the observed bands indicates that no pressure-induced structural transition occurs in this material throughout the pressure range investigated. For the internal vibrational modes of HAP, however, there are distinct breaks at approximately 20 kbar in the nu versus P plots, suggesting the occurrence of a structural change at this pressure. The OH stretching mode of HAP shifts to higher wave numbers with increasing pressure while the associated OH librational mode shifts in the opposite direction. The pressure-induced structural transition in HAP is reversible and occurs at approximately 22 kbar upon decompression. Further evidence for a structural change taking place at approximately 20 kbar was provided by a parallel pressure-tuning Raman study. Hydrogen bonding does not occur, or is very weak, in HAP.
authors.affiliation: Department of Chemistry, McGill University, Montreal, Quebec, Canada.
authors.forename: J
authors.initials: J
authors.lastname: Xu
authors.forename: D F
authors.initials: DF
authors.lastname: Gilson
authors.forename: I S
authors.initials: IS
authors.lastname: Butler
authors.forename: I
authors.initials: I
authors.lastname: Stangel
mesh_terms: D001031:Apatites / Q000737:chemistry; D001672:Biocompatible Materials; D017886:Durapatite / Q000737:chemistry; D011312:Pressure; D013055:Spectrophotometry, Infrared; D013059:Spectrum Analysis, Raman; D014732:Vibration
chemical_list: D001031:Apatites; D001672:Biocompatible Materials; D017886:Durapatite; C025105:fluorapatite