Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures
Complex forms of nitrogen are of interest for their potential as high-energy materials, but many all-nitrogen systems lack the stability for practical high-energy applications. Inclusion of carbon atoms in an otherwise all-nitrogen structure can increase stability. Nitrogen cages are known for energ...
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/960156 |
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| author | Carrie Sanders Douglas L. Strout |
| author_facet | Carrie Sanders Douglas L. Strout |
| author_sort | Carrie Sanders |
| collection | DOAJ |
| description | Complex forms of nitrogen are of interest for their potential as high-energy materials, but many all-nitrogen systems lack the stability for practical high-energy applications. Inclusion of carbon atoms in an otherwise all-nitrogen structure can increase stability. Nitrogen cages are known for energetically preferring cylindrical structures with triangular endcaps, but carbon cages prefer the pentagon-hexagon structure of the fullerenes. Previous calculations on N22C2 have shown that carbon inclusion narrows the gap between triangular and fullerene-like structures. In the current study, three isomers of N24 are used as frameworks for carbon substitution. Theoretical calculations are carried out on isomers of N20C4, N18C6, and N16C8, with the goal of determining what level of carbon substitution causes the carbon fullerene-like structures to become energetically preferred. |
| format | Article |
| id | doaj-art-98f0cb15fb4344beadf3020f6ef64eb5 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
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| series | Journal of Chemistry |
| spelling | doaj-art-98f0cb15fb4344beadf3020f6ef64eb52025-08-20T03:37:05ZengWileyJournal of Chemistry2090-90632090-90712013-01-01201310.1155/2013/960156960156Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal StructuresCarrie Sanders0Douglas L. Strout1Department of Physical Sciences, Alabama State University, Montgomery, AL 36101, USADepartment of Physical Sciences, Alabama State University, Montgomery, AL 36101, USAComplex forms of nitrogen are of interest for their potential as high-energy materials, but many all-nitrogen systems lack the stability for practical high-energy applications. Inclusion of carbon atoms in an otherwise all-nitrogen structure can increase stability. Nitrogen cages are known for energetically preferring cylindrical structures with triangular endcaps, but carbon cages prefer the pentagon-hexagon structure of the fullerenes. Previous calculations on N22C2 have shown that carbon inclusion narrows the gap between triangular and fullerene-like structures. In the current study, three isomers of N24 are used as frameworks for carbon substitution. Theoretical calculations are carried out on isomers of N20C4, N18C6, and N16C8, with the goal of determining what level of carbon substitution causes the carbon fullerene-like structures to become energetically preferred.http://dx.doi.org/10.1155/2013/960156 |
| spellingShingle | Carrie Sanders Douglas L. Strout Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures Journal of Chemistry |
| title | Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures |
| title_full | Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures |
| title_fullStr | Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures |
| title_full_unstemmed | Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures |
| title_short | Carbon Substitution on N24 Cages: Crossover between Triangular and Hexagonal Structures |
| title_sort | carbon substitution on n24 cages crossover between triangular and hexagonal structures |
| url | http://dx.doi.org/10.1155/2013/960156 |
| work_keys_str_mv | AT carriesanders carbonsubstitutiononn24cagescrossoverbetweentriangularandhexagonalstructures AT douglaslstrout carbonsubstitutiononn24cagescrossoverbetweentriangularandhexagonalstructures |