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Table 2 The 27Al quadrupolar parameters obtained from the 1D MAS and the 2D MQMAS experiments using the DMFIT program.

From: Characterisation of different polymorphs of tris(8-hydroxyquinolinato)aluminium(III) using solid-state NMR and DFT calculations

Experiment Isomer δ iso (ppm) η Q χ/MHz
1D MAS α-Alq3 55.4 ± 1.0 0.80 ± 0.04 7.0 ± 0.1
  δ-Alq3 43.6 ± 1.0 0.18 ± 0.03 4.9 ± 0.1
  Solvated Alq3 50.5 ± 1.0 0.62 ± 0.04 6.4 ± 0.1
  Solvated Alq3 after the removal of ethanol 55.1 ± 2.0 0.85 ± 0.05 6.5 ± 0.3
2D MQMAS α-Alq3 54.7 ± 1.0 0.85 ± 0.04 6.9 ± 0.1
  δ-Alq3 43.1 ± 1.0 0.15 ± 0.03 5.1 ± 0.1
  Solvated Alq3 50.4 ± 1.0 0.60 ± 0.04 6.4 ± 0.1
  Solvated Alq3 after the removal of ethanol 55.0 ± 2.0 0.81 ± 0.04 6.9 ± 0.3