PES of I-I=Te and I-Te-I

Relativistic DFT/PBE/rL1 calculations (Priroda program)

Click on ellipse to view 3D structure in popup window (run JSmol)
image/svg+xml kcal/mol 45 - 40 - 35 - 30 - 25 - 20 - 15 - 10 - 5 - 0 - 0.00 kcal ITeI_m10.00 kcal 8.34 kcal ITeI_m38.34 kcal 24.83 kcal TeII_m324.83 kcal 38.22 kcal TeII_m3-ITeI_m338.22 kcal 30.86 kcal TeII_m130.86 kcal 45.14 kcal TeII_m545.14 kcal