Title: Studies on the Conjugated Double Bond Systems. VIII. On the Electronic Structures of Furan, Pyrrole and Thiophen
Abstract:Abstract Electronic structures of furan, pyrrole and thiophene were investigated by the use of the molecular orbital method. And values of energy levels, resonance energies, π-electron densities and b...Abstract Electronic structures of furan, pyrrole and thiophene were investigated by the use of the molecular orbital method. And values of energy levels, resonance energies, π-electron densities and bond orders were calculated. As the result of these calculations, it was found that nonbonding electrons of hetero-atoms migrate into carbon atoms and the degree of these electron migrations increases in the order of furan, pyrrole and thiophene.Read More