{"title":"具有增强反芳电路贡献的隐蔽冕状烃作为石墨烯中肖特基缺陷的模型","authors":"Jerry Ray Dias","doi":"10.2174/1874364101105010112","DOIUrl":null,"url":null,"abstract":"Coronoids with holes shaped like an odd carbon benzenoid have antiaromatic holes and antiaromatic conju- gated circuits. Another class of concealed diradical coronoids has been identified. They are Huckel molecular orbital dira- dicals (HOMO = LUMO = 0, each with a single electron occupancy) that have VB (valence-bond) structures (K � 0).This new class of concealed diradical coronoids have more enhanced antiaromatic contributions. The smallest holes in graphe- nes are spin polarized and have antiaromatic characteristics.","PeriodicalId":23020,"journal":{"name":"The Open Organic Chemistry Journal","volume":"15 1","pages":"112-116"},"PeriodicalIF":0.0000,"publicationDate":"2011-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"Concealed Coronoid Hydrocarbons with Enhanced Antiaromatic Circuit Contributions as Models for Schottky Defects in Graphenes\",\"authors\":\"Jerry Ray Dias\",\"doi\":\"10.2174/1874364101105010112\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Coronoids with holes shaped like an odd carbon benzenoid have antiaromatic holes and antiaromatic conju- gated circuits. Another class of concealed diradical coronoids has been identified. They are Huckel molecular orbital dira- dicals (HOMO = LUMO = 0, each with a single electron occupancy) that have VB (valence-bond) structures (K � 0).This new class of concealed diradical coronoids have more enhanced antiaromatic contributions. The smallest holes in graphe- nes are spin polarized and have antiaromatic characteristics.\",\"PeriodicalId\":23020,\"journal\":{\"name\":\"The Open Organic Chemistry Journal\",\"volume\":\"15 1\",\"pages\":\"112-116\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2011-09-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"The Open Organic Chemistry Journal\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.2174/1874364101105010112\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Open Organic Chemistry Journal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2174/1874364101105010112","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Concealed Coronoid Hydrocarbons with Enhanced Antiaromatic Circuit Contributions as Models for Schottky Defects in Graphenes
Coronoids with holes shaped like an odd carbon benzenoid have antiaromatic holes and antiaromatic conju- gated circuits. Another class of concealed diradical coronoids has been identified. They are Huckel molecular orbital dira- dicals (HOMO = LUMO = 0, each with a single electron occupancy) that have VB (valence-bond) structures (K � 0).This new class of concealed diradical coronoids have more enhanced antiaromatic contributions. The smallest holes in graphe- nes are spin polarized and have antiaromatic characteristics.
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