Summary.
The structure dependence of the total π-electron energy E (and therefore of the thermodynamic stability) of phenylenes is examined. Sharp and narrow upper and lower bounds for E are obtained. The gross part of E (above 99%) is determined by the size of the phenylene molecule, measured by the number h of hexagons. An approximate mathematical form of the dependence of E on h is established.
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Received March 12, 2001. Accepted April 13, 2001
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Gutman, I., Tomović, Z. Total π-Electron Energy of Phenylenes: Bounds and Approximate Expressions. Monatshefte fuer Chemie 132, 1023–1029 (2001). https://doi.org/10.1007/s007060170042
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DOI: https://doi.org/10.1007/s007060170042