THE ENERGETICS AND STRUCTURES OF SOME HIGHLY UNSATURATED ALICYCLIC HYDROCARBONS AND THEIR DERIVATIVES - A COMPARISON OF EXPERIMENT, QUANTUM-CHEMISTRY AND ESTIMATION

Making use of results derived from calorimetric, electron diffraction and microwave measurements, quantum chemical calculations at the MP2/6 -31G//MP2/6-31G* level (with zero-point energies at the HF/6-31G* lev el) and assorted estimation methodologies, structures and enthalpies o f formation are presented for some highly unsaturated alicyclic hydroc arbons (cyclopropene, cyclobutene, cyclopentadiene, 1,4- and 1,3-cyclo hexadiene, and cycloheptatriene) and their keto- and exo-methylene der ivatives.