Expt. 44 - Addition of Singlet Diflurocarbene to Ethylene

 

AM1 Heats of Formation (kcal/mol)

Difluorocarbene

-67.957

Ethylene

16.471

Transition State

-34.316

1,1-difluoroyclopropane

-77.051

D Hrxn = S D Hf (P) - S D Hf (R) = [-77.051 - (-67.957 + 16.471)] kcal/mol= -25.565 kcal/mol