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. Author manuscript; available in PMC: 2019 Aug 10.
Published in final edited form as: J Phys Chem B. 2019 Apr 1;123(14):3061–3067. doi: 10.1021/acs.jpcb.9b02277

Table 1:

17O EFG and CSA tensor parameters determined from MAS and MQMAS NMR

17O
site		 CQ (± 0.3)
/ MHz		 ηQ (±
0.15)		 δiso /
ppm		 Ω (± 30)
/ ppm		 κ (±
0.5)		 δ3Q (±1) /
ppm at 18.8
T		 δ3Q (±1) /
ppm at 21.1
T		 δ3Q (±1) /
ppm at 35.2
T
1 7.1 0.85 −5 ± 2 50 −1 13.1 9.1 0.4
2 7.1 0.83 −2 ± 2 70 −1 17.1 n.r. 3.1
3 6.6 0.83 0 ± 2 70 −1 16.0 n.r. 5.6
4 6.8 0.9 3 ± 2 80 −1 19.9 16.5 7.8

n.r. – not resolved, one peak at 12.8 ±1 ppm.