Новосибирский институт органической химии им. Н.Н. Ворожцова СО РАН

Лаборатория изучения механизмов органических реакций

Conformational analysis of diglyme



Methods: MM (scan from tinker) — DFT (PRIRODA).
Energy (without ZPE) by DFT/PBE/L1 (cc-pVDZ) geometry (PRIRODA program).

On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

0.00 0.00 0.14 0.14 0.26 0.26 0.33 0.33 0.35 0.35 0.42 0.42 0.43 0.43 0.66 0.66 0.76 0.76 0.78 0.78 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 1.28 1.28 1.34 1.34 1.36 1.36 1.39 1.39 1.40 1.40 1.42 1.42 1.47 1.47 1.49 1.49 1.56 1.56 1.57 1.57 1.57 1.57 1.61 1.61 1.62 1.62 1.70 1.70 1.71 1.71 1.72 1.72 1.74 1.74 1.78 1.78 1.78 1.78 1.79 1.79 1.80 1.80 1.86 1.86 2.00 2.00 2.01 2.01 2.04 2.04 2.06 2.06 2.08 2.08 2.10 2.10 2.10 2.10 2.11 2.11 2.15 2.15 2.16 2.16 2.17 2.17 2.25 2.25 2.25 2.25 2.28 2.28 2.28 2.28 2.30 2.30 2.31 2.31 2.36 2.36 2.39 2.39 2.44 2.44 2.45 2.45 2.48 2.48 2.65 2.65 2.70 2.70 2.72 2.72 2.74 2.74 2.83 2.83 2.84 2.84 2.87 2.87 2.89 2.89 2.91 2.91 2.93 2.93 2.94 2.94 2.99 2.99 3.00 3.00 3.01 3.01 3.04 3.04 3.04 3.04 3.07 3.07 3.08 3.08 3.09 3.09 3.09 3.09 3.16 3.16 3.16 3.16 3.17 3.17 3.18 3.18 3.28 3.28 3.28 3.28 3.28 3.28 3.28 3.28 3.30 3.30 3.31 3.31 3.32 3.32 3.35 3.35 3.36 3.36 3.36 3.36 3.40 3.40 3.40 3.40 3.45 3.45 3.46 3.46 3.47 3.47 3.48 3.48 3.52 3.52 3.58 3.58 3.60 3.60 3.65 3.65 3.68 3.68 3.68 3.68 3.69 3.69 3.69 3.69 3.70 3.70 3.73 3.73 3.74 3.74 3.78 3.78 3.78 3.78 3.79 3.79 3.79 3.79 3.80 3.80 3.82 3.82 3.83 3.83 3.86 3.86 3.86 3.86 3.90 3.90 3.91 3.91 3.98 3.98 4.24 4.24 4.24 4.24 4.29 4.29 4.30 4.30 4.39 4.39 4.40 4.40 4.48 4.48 4.54 4.54 4.56 4.56 4.60 4.60 4.61 4.61 4.65 4.65 4.65 4.65 4.68 4.68 4.69 4.69 4.75 4.75 4.80 4.80 4.81 4.81 4.92 4.92 4.97 4.97 5.02 5.02 5.08 5.08 5.11 5.11 5.11 5.11 5.14 5.14 5.15 5.15 5.17 5.17 5.19 5.19 5.22 5.22 5.48 5.48 5.55 5.55 5.75 5.75 5.91 5.91 6.14 6.14 6.16 6.16 6.31 6.31