摘要: Heats of formation derived from the AM1 semiempirical method were used to determine the aromatic energies of the following systems: pyrimidine, pyridine, pyridazine, pyrazine, 1,2,4,5-tetraazine, phosphabenzene, 1,2- 1,3- 1,4-diph... 展开 Heats of formation derived from the AM1 semiempirical method were used to determine the aromatic energies of the following systems: pyrimidine, pyridine, pyridazine, pyrazine, 1,2,4,5-tetraazine, phosphabenzene, 1,2- 1,3- 1,4-diphosphabenzene, hexaazine, hexaphosphabenzene, silabenzene, thiophene, pyrrole, and furan. Two methods were employed for AE estimates. One used the heats of union of atomic pairs (with elimination of H2) of appropriate nonaromatic precursors. The other method used a comparison of the heats of hydrogenation of aromatic species to estimate the AE. Reprints. (aw) 收起