Table 4 The fragment channels and dissociation energies (eV) of the salt moieties formed by adding a Na+ ion on superhalogen anions Fe(BO2)4, Fe(CN)4, Fe(NO2)4, Fe(NO3)4, Fe(OH)4 and Fe(BH4).
From: Iron-based magnetic superhalogens with pseudohalogens as ligands: An unbiased structure search
Cluster | Channel | ΔE1 | Channel | ΔE2 |
|---|---|---|---|---|
Na[Fe(BO2)4] | Na[Fe(BO2)4] → Na + Fe(BO2)4 | 9.598 | Na[Fe(BO2)4] → Na+ + Fe(BO2)4− | −1.232 |
Na[Fe(CN)4] | Na[Fe(CN)4] → Na + Fe(CN)4 | 7.890 | Na[Fe(CN)4] → Na+ + Fe(CN)4− | −1.117 |
Na[Fe(NO2)4] | Na[Fe(NO2)4] → Na + Fe(NO2)4 | 9.714 | Na[Fe(NO2)4] → Na+ + Fe(NO2)4− | −0.686 |
Na[Fe(NO3)4] | Na[Fe(NO3)4] → Na + Fe(NO3)4 | 11.047 | Na[Fe(NO3)4] → Na+ + Fe(NO3)4− | −0.677 |
Na[Fe(OH)4] | Na[Fe(OH)4] → Na + Fe(OH)4 | 9.504 | Na[Fe(OH)4] → Na+ + Fe(OH)4− | 0.751 |
Na[Fe(BH4)4] | Na[Fe(BH4)4] → Na + Fe(BH4)4 | 6.883 | Na[Fe(BH4)4] → Na+ + Fe(BH4)4− | −0.925 |
