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Open AccessArticle

The Monetite Structure Probed by Advanced Solid-State NMR Experimentation at Fast Magic-Angle Spinning

1
Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden
2
Applied Material Science, Department of Engineering, Uppsala University, SE-751 21 Uppsala, Sweden
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2019, 20(24), 6356; https://doi.org/10.3390/ijms20246356
Received: 22 November 2019 / Revised: 10 December 2019 / Accepted: 12 December 2019 / Published: 17 December 2019
(This article belongs to the Special Issue NMR Characterization of Amorphous and Disordered Materials)
We present a solid-state nuclear magnetic resonance (NMR) spectroscopy study of the local 31 P and 1 H environments in monetite [CaHPO 4 ; dicalcium phosphate anhydrous (DCPA)], as well as their relative spatial proximities. Each of the three 1 H NMR peaks was unambiguously assigned to its respective crystallographically unique H site of monetite, while their pairwise spatial proximities were probed by homonuclear 1 H– 1 H double quantum–single quantum NMR experimentation under fast magic-angle spinning (MAS) of 66 kHz. We also examined the relative 1 H– 31 P proximities among the inequivalent {P1, P2} and {H1, H2, H3} sites in monetite; the corresponding shortest internuclear 1 H– 31 P 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. View Full-Text
Keywords: monetite structure; calcium phosphate cement; bioceramics; internuclear distance determination; double-quantum correlation 1H NMR; 31P{1H} HETCOR NMR monetite structure; calcium phosphate cement; bioceramics; internuclear distance determination; double-quantum correlation 1H NMR; 31P{1H} HETCOR NMR
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MDPI and ACS Style

Yu, Y.; Stevensson, B.; Pujari-Palmer, M.; Guo, H.; Engqvist, H.; Edén, M. The Monetite Structure Probed by Advanced Solid-State NMR Experimentation at Fast Magic-Angle Spinning. Int. J. Mol. Sci. 2019, 20, 6356.

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