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Valency-bond studies of some conjugated hydrocarbons—II Pentalene, and some preliminary results on heptalene |
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| Authors: | P C den Boer and D H W den Boer C A Coulson T H Goodwin |
| Institution: | Organisch Chemisch Laboratorium, University of Utrecht U.K. Mathematical Institute, University of Oxford U.K. Chemistry Department, University of Glasgow U.K. |
| Abstract: | Valency-bond studies of the still unknown molecule pentalene C8H6 in which the molecular symmetry may be either D2h or C2h show that a more stable molecule (lower ground state energy) is found for the lower symmetry, and that marked alternation of bond lengths occurs. The corresponding Penney-Dirac bond orders have been determined. Preliminary results for heptalene forecast a similar conclusion. |
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