Table 3. Madelung energies εM based on Mulliken and Löwdin charges for H2CO3, NaHCO3, and Na2CO3.
System | ε M Mulliken (kJ·mol−1 ) | ε M Löwdin (kJ·mol−1 ) |
---|---|---|
H2CO3 | −1807 | −1042 |
NaHCO3 | −2108 | −1401 |
Na2CO3 | −2356 | −1763 |
System | ε M Mulliken (kJ·mol−1 ) | ε M Löwdin (kJ·mol−1 ) |
---|---|---|
H2CO3 | −1807 | −1042 |
NaHCO3 | −2108 | −1401 |
Na2CO3 | −2356 | −1763 |