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

Лаборатория изучения механизмов органических реакций

Rearrangements of 9,9-dimethyl-10-allenyl-phenanthrenium cation

Geometry optimization by DFT/PBE/L1 (PRIRODA program, basis aka cc-pVDZ)

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 0.52 0.52 3.61 3.61 4.96 4.96 6.71 6.71 9.98 9.98 18.31 18.31 19.62 19.62

Rearrangements of 9,9-dimethyl-10-methylallenyl-phenanthrenium cation

0.00 0.00 1.53 1.53 2.90 2.90 3.19 3.19 5.03 5.03 9.36 9.36 14.14 14.14 17.36 17.36