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From crystalline to amorphous calcium pyrophosphates: a solid state Nuclear Magnetic Resonance perspective

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Academic year: 2021

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Figure 1:  31 P MAS NMR spectra (decoupled from  1 H during the acquisition time) of t-CPPD,  m-CPPD,  m-CPPT β,  m-CPPM  and  a-CPP  (sample  A)  (14.1 T,  242.81 MHz,  spinal  64  1 H  decoupling, relaxation delay: 128 s, number of scans: 4, regulation o
Figure 2: Configuration of the pyrophosphate anions in the crystalline CPP phases studied (as  shown  along  two  different  viewing  directions)
Figure 3: Natural abundance  43 Ca MAS NMR spectra of t-CPPD, m-CPPD, m-CPPT β and  m-CPPM,  recorded  at  14.1 T  [ν 0 ( 43 Ca) = 40.37 MHz],  and  20.0 T  [ν 0 ( 43 Ca) = 57.22 MHz]
Figure  4:  Correlation  between  the  computed  43 Ca  isotropic  chemical  shifts  and  the  mean  Ca…O bond distance in m-CPPD, t-CPPD, m-CPPT β, m-CPPM and α-Ca 2 P 2 O 7 , depending  on the Ca coordination number (CN) and the number of water molecules
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