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The Monetite Structure Probed by Advanced Solid-State NMR Experimentation at Fast Magic-Angle Spinning
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0003-3242-0205
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0001-7109-5068
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).ORCID iD: 0000-0001-7797-7387
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Number of Authors: 62019 (English)In: International Journal of Molecular Sciences, ISSN 1422-0067, E-ISSN 1422-0067, Vol. 20, no 24, article id 6356Article in journal (Refereed) Published
Abstract [en]

We present a solid-state nuclear magnetic resonance (NMR) spectroscopy study of the local P-31 and H-1 environments in monetite [CaHPO4; dicalcium phosphate anhydrous (DCPA)], as well as their relative spatial proximities. Each of the three H-1 NMR peaks was unambiguously assigned to its respective crystallographically unique H site of monetite, while their pairwise spatial proximities were probed by homonuclear H-1-H-1 double quantum-single quantum NMR experimentation under fast magic-angle spinning (MAS) of 66 kHz. We also examined the relative H-1-P-31 proximities among the inequivalent {P1, P2} and {H1, H2, H3} sites in monetite; the corresponding shortest internuclear H-1-P-31 distances accorded well with those of a previous neutron diffraction study. The NMR results from the monetite phase were also contrasted with those observed from the monetite component present in a pyrophosphate-bearing calcium phosphate cement, demonstrating that while the latter represents a disordered form of monetite, it shares all essential local features of the monetite structure.

Place, publisher, year, edition, pages
2019. Vol. 20, no 24, article id 6356
Keywords [en]
monetite structure, calcium phosphate cement, bioceramics, internuclear distance determination, double-quantum correlation 1H NMR, P-31{1H} HETCOR NMR
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:su:diva-178704DOI: 10.3390/ijms20246356ISI: 000506840100249PubMedID: 31861132OAI: oai:DiVA.org:su-178704DiVA, id: diva2:1392425
Available from: 2020-02-07 Created: 2020-02-07 Last updated: 2020-02-07Bibliographically approved

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Yu, YangStevensson, BaltzarPujari-Palmer, MichaelGuo, HuaEngqvist, HåkanEdén, Mattias
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