Partitioning of pi-electrons in rings of polycyclic conjugated hydrocarbons. 5. Nonalternant compounds |
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Authors: | Balaban Alexandru T Randić Milan |
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Institution: | Texas A&M University at Galveston, Galveston, Texas 77551, USA. balabana@tamug.edu |
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Abstract: | All possible nonalternant hydrocarbons with a total of two, three, or four 5-, 6-, and 7-membered rings have been examined for the partition of their pi-electrons by averaging over all Kekulé structures (considered to contribute equally to the electron distribution) the pi-electrons in each ring in accordance to the rules introduced earlier: for each double bond shared with another ring one pi-electron is taken into account, and for double bonds that are not shared two pi-electrons are added. The trends observed for the partitions are discussed, and a comprehensive bibliography is provided as Supporting Information for all such systems, including both experimental and theoretical published data. |
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