HEAT OF FORMATION OF DODECAHEDRANE

The heat of formation of dodecahedrane is estimated from the differenc e of ab initio RMP2(FC)/6-31G//6-31G* energies of dodecahedrane and p agodane, as well as from two homodesmic reactions. The results, 18.9, 17.5, and 16.7 kcal/mol, are in reasonable agreement with the value es timated by Beckhaus et al., 22.4 +/- 1 kcal/mol. A discussion is given of the geometry and strain energy of two dicarboxymethyl esters of pa godane and their utility in estimating the Delta H-f degrees of dodeca hedrane.