Table 2.
Free energies of gas-phase mixed tetramer formation of 1-methoxyallenyllithium with lithium chloride
| Method | T [K] | Free energy [kcal mol−1 per Li] | ||
|---|---|---|---|---|
| [LiAln]2[LiCl]2 | [LiAln][LiCl]3 | [LiAln]3[LiCl] | ||
| B3LYP | 200 | −4.43 | −6.45 | −2.17 |
| B3LYP | 298.15 | −3.86 | −5.64 | −1.88 |
| MP2 | 200 | −5.17 | −7.75 | −2.59 |
| MP2 | 298.15 | −4.60 | −6.93 | −2.30 |