Experimental and Theoretical Determinations of Bond Lengths in Naphthalene, Anthracene and Other Hydrocarbons
Abstract
Recent independent determinations by X-ray crystallography of the C-C bond lengths in naphthalene and anthracene are shown to agree well. The experimental values agree to about 0\cdot01 Ã… with both the simple molecular orbital and simple Pauling theories. These theories also make satisfactory predictions for 1\cdot2:8\cdot9-dibenzacridine and chrysene (except for the bond most affected by steric hindrance). The agreement between the two theories for aromatic molecules is traced to a correlation of their respective bond orders. For ethylene, butadiene, cyclooctatetraene and diphenyl the Pauling method is superior to the simple m.o. method.
- Publication:
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Proceedings of the Royal Society of London Series A
- Pub Date:
- October 1960
- DOI:
- Bibcode:
- 1960RSPSA.258..270C