Mndo study of bond orders in some conjugated BI- and tri-cyclic hydrocarbons |
| |
Authors: | Christopher Glidewell Douglas Lloyd |
| |
Affiliation: | Department of Chemistry, Purdie Building, University of St. Andrews, St. Andrews, Fife KY16 9ST U.K. |
| |
Abstract: | MNDO calculations have been carried out on a number of conjugated bicyclic and tricyclic hydrocarbons. For reference purposes some acenes and monocyclic non-benzenoid hydrocarbons are also mentioned. While the influence of 2 or 6 π-electron systems in stabilising, and of 4 π-electron systems in destabilising, structures is readily evident, it is clear that arrays of 10 or more π-electrons have markedly less effect, and the balance between fixation of bonds and delocalisation in many compounds possessing such systems is subtle. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|