Aromaticity of All Possible C26N2 Isomers

The aromaticity of all possible heterofullerenes C26N2 and C28 based on Td symmetry has been studied by means of the topological resonance energy and percentage topological resonance energy methods. The relationship between the aromaticity of the C26N2 isomers and the sites where nitrogen atoms dope...

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Bibliographic Details
Published inChinese journal of chemistry Vol. 26; no. 1; pp. 92 - 96
Main Authors TANG, Ming-Hui, ABLIKIM, Kerim
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 01.01.2008
WILEY‐VCH Verlag
Subjects
aromaticity
C26N2
fullerene
topological resonance energy
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Summary:The aromaticity of all possible heterofullerenes C26N2 and C28 based on Td symmetry has been studied by means of the topological resonance energy and percentage topological resonance energy methods. The relationship between the aromaticity of the C26N2 isomers and the sites where nitrogen atoms dope at the C28 cage has been discussed. The calculation results show that the most stable isomer of C26N2 derivatives is formed by nitrogen atoms doping at the two tetrahedral vertices. C26N2 isomers are more stable than C28, but the C26N22− isomers are less stable than C28 4−4. The effect of nitrogen substitution on C28 stability was investigated by the topological charge stabilization rule.
Bibliography:the Scientific Research Foundation for the Returned Overseas Chinese Scholars, National Education Ministry of China - No. [2005] 383
ark:/67375/WNG-58BLMNZV-H
ArticleID:CJOC200890043
istex:2D9D496EAC8D15ACDA424ED68C4B19212F92FA0E
Tel.: 0086‐991‐8582078
ISSN:1001-604X
1614-7065
DOI:10.1002/cjoc.200890043