Table 5.
Crystal lattice energies of polymorphs correlated to melting points.
| Crystal | Eele (kJ/mol) | Epol (kJ/mol) | Edisp (kJ/mol) | Erep (kJ/mol) | Elatt (kJ/mol) | Melting Point (°C) |
|---|---|---|---|---|---|---|
| GW-1 | −77.1 | −21.9 | −189.4 | 57.4 | −231.0 | 142 |
| GW-2 | −114.1 | −18.2 | −183.5 | 92.3 | −223.5 | 137 |
| GW-3 | −91.9 | −19.9 | −176.8 | 51.8 | −236.8 | 139 |
| GW-4 | −63.9 | −14.6 | −171.7 | 54.5 | −195.7 | 131 |
| GW-5 | −84.4 | −19.7 | −151.6 | 45.6 | −210.1 | 139 and 145 |
Abbreviations: Eele-electrostatic; Epol-polarization; Edisp-dispersion; Erep-repulsion; Elatt-total lattice energy.