Abstract
Fully benzenoid hydrocarbons are benzenoid hydrocarbons in which benzene rings of a polycyclic benzenoid system are either assigned to isolated π sextets or are shown as “empty”. For a number of polycyclic benzenoid hydrocarbons we examined Kekule valence structures in order to characterize those that contribute to Clar's valence formulae depicting π sextets. We found that a particular weighting approach to Kekulé valence structures can result in a structural formula which in a number of benzenoids coincides with their Clar structure. The weights are determined by the smallest Pauling bond order that occurs for CC double bonds appearing in a Kekule valence structure. All valence structures which have maximal weights upon superposition produce a molecular structural formula which in some fully benzenoid systems coincides with Clar's representation but in others suggests a structure with fewer π sextets, suggesting, so to speak, less “perfect” fully benzenoid systems.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
