Table 2 Magnetic moment of the oxygen and phosphorus atom at the upper and lower edges.
Structure | Upper Edge | Lower Edge | ||
|---|---|---|---|---|
M O (μ B ) | M P (μ B ) | M O (μ B ) | M P (μ B ) | |
OH-6ZPNR-CN-2O | 0.049 | 0.069 | 0.097 | 0.106 |
OH-6ZPNR-NO2-2O | 0.105 | 0.154 | 0 | 0.007 |
NH2-6ZPNR-NO2-2O | 0.157 | 0.214 | 0.010 | 0.010 |