Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН
Лаборатория изучения механизмов органических реакций
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Cryptands and their Li+ complexes
Conformational analysis of cryptands and Li+ cryptates:
[1.1.1] and [Li+⊂ 1.1.1]
thia-[1.1.1] and thia-[Li+⊂ 1.1.1]
[2.1.0] and [Li+⊂ 2.1.0]
[2.1.1] and [Li+⊂ 2.1.1]
Calculated (DFT) energy of formation of the cryptates*
| [1.1.1] | -116.2 kcal/mole |
| thia-[1.1.1] | -102.6 kcal/mole |
| [2.1.0] | -113.8 kcal/mole |
| [2.1.1] | -127.8 kcal/mole |