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Systematics of Fullerenes and Related Clusters [and Discussion]
Qualitative theoretical treatments of the fullerene family of molecules can be used to count possible isomers and predict their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated by the ring-spiral algorithm due to D. E. Manolop...
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| Published in: | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 1993-04, Vol.343 (1667), p.39-52 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c435t-c4d9bc2303e7a8fce752e01c2bbed799c06b4beccf208de9fd1c3e0aedba146e3 |
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| cites | cdi_FETCH-LOGICAL-c435t-c4d9bc2303e7a8fce752e01c2bbed799c06b4beccf208de9fd1c3e0aedba146e3 |
| container_end_page | 52 |
| container_issue | 1667 |
| container_start_page | 39 |
| container_title | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences |
| container_volume | 343 |
| creator | Fowler, P. W. Curl, R. F. Murrell, J. N. |
| description | Qualitative theoretical treatments of the fullerene family of molecules can be used to count possible isomers and predict
their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated
by the ring-spiral algorithm due to D. E. Manolopoulos. Geometrically based magic number rules devised by the present author
account for all electronically closed $\pi $ shells within the Huckel approximation and these `leapfrog' and `cylinder' rules
apply to the wider class of `fulleroid' structures constructed with rings of other sizes. Extrapolations from the theory of
carbon clusters are described for doped fullerenes, metallocarbohedrenes, fully substituted boron-nitrogen heterofullerenes
and decorated-fullerene models for water clusters. |
| doi_str_mv | 10.1098/rsta.1993.0039 |
| format | article |
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their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated
by the ring-spiral algorithm due to D. E. Manolopoulos. Geometrically based magic number rules devised by the present author
account for all electronically closed $\pi $ shells within the Huckel approximation and these `leapfrog' and `cylinder' rules
apply to the wider class of `fulleroid' structures constructed with rings of other sizes. Extrapolations from the theory of
carbon clusters are described for doped fullerenes, metallocarbohedrenes, fully substituted boron-nitrogen heterofullerenes
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their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated
by the ring-spiral algorithm due to D. E. Manolopoulos. Geometrically based magic number rules devised by the present author
account for all electronically closed $\pi $ shells within the Huckel approximation and these `leapfrog' and `cylinder' rules
apply to the wider class of `fulleroid' structures constructed with rings of other sizes. Extrapolations from the theory of
carbon clusters are described for doped fullerenes, metallocarbohedrenes, fully substituted boron-nitrogen heterofullerenes
and decorated-fullerene models for water clusters.</description><subject>Atoms</subject><subject>Electronic structure</subject><subject>Electrons</subject><subject>Fullerenes</subject><subject>Hexagons</subject><subject>Isomers</subject><subject>Molecules</subject><subject>Pentagons</subject><subject>Polyhedrons</subject><subject>Symmetry</subject><issn>1364-503X</issn><issn>0962-8428</issn><issn>1471-2962</issn><issn>2054-0299</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1993</creationdate><recordtype>article</recordtype><recordid>eNp9UUtr3DAQNiWB5tFrDz35D-xG8sj26pIStnkUAoVNAoUQhCyPEy2OtWjkFufXR_aW0lCyF42k-R7zMUnymbM5Z3Jx4inoOZcS5oyB_JAccFHyWSaLbC_eoRCznMHPj8kh0Zoxzos8O0i-3gwU8FkHayh1TXrRty167JBS3dXpClsdsE6XbR9hntL78febJdMTWdc9HCf7jW4JP_2pR8ndxfnt8mp2_ePy-_LsemYE5CGetaxMBgyw1IvGYJlnyLjJqgrrUkrDikpUaEyTsUWNsqm5AWQa60pzUSAcJfOtrvGOyGOjNt4-az8oztQYX43x1RhfjfEjAbYE74Y4mDMWw6DWrvddfL7Pol2s1c3tWQSzXyDA8qIoFVsAZ6UQINWL3UxyI0BFgLJEPaoJ9tbmf9cvW9c1Bef_JssFB4jN023zyT4-_bYe1ZvZJinjuoBdmFwnv-jRxE2qTd1EgZOdAm7YRIl_qPAKRyC3bA</recordid><startdate>19930415</startdate><enddate>19930415</enddate><creator>Fowler, P. W.</creator><creator>Curl, R. F.</creator><creator>Murrell, J. N.</creator><general>The Royal Society</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>19930415</creationdate><title>Systematics of Fullerenes and Related Clusters [and Discussion]</title><author>Fowler, P. W. ; Curl, R. F. ; Murrell, J. N.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c435t-c4d9bc2303e7a8fce752e01c2bbed799c06b4beccf208de9fd1c3e0aedba146e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1993</creationdate><topic>Atoms</topic><topic>Electronic structure</topic><topic>Electrons</topic><topic>Fullerenes</topic><topic>Hexagons</topic><topic>Isomers</topic><topic>Molecules</topic><topic>Pentagons</topic><topic>Polyhedrons</topic><topic>Symmetry</topic><toplevel>online_resources</toplevel><creatorcontrib>Fowler, P. W.</creatorcontrib><creatorcontrib>Curl, R. F.</creatorcontrib><creatorcontrib>Murrell, J. N.</creatorcontrib><collection>CrossRef</collection><jtitle>Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Fowler, P. W.</au><au>Curl, R. F.</au><au>Murrell, J. N.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Systematics of Fullerenes and Related Clusters [and Discussion]</atitle><jtitle>Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences</jtitle><stitle>Phil. Trans. R. Soc. Lond. A</stitle><date>1993-04-15</date><risdate>1993</risdate><volume>343</volume><issue>1667</issue><spage>39</spage><epage>52</epage><pages>39-52</pages><issn>1364-503X</issn><issn>0962-8428</issn><eissn>1471-2962</eissn><eissn>2054-0299</eissn><abstract>Qualitative theoretical treatments of the fullerene family of molecules can be used to count possible isomers and predict
their geometric shapes, point groups, electronic structures, vibrational and NMR spectroscopic signatures. Isomers are generated
by the ring-spiral algorithm due to D. E. Manolopoulos. Geometrically based magic number rules devised by the present author
account for all electronically closed $\pi $ shells within the Huckel approximation and these `leapfrog' and `cylinder' rules
apply to the wider class of `fulleroid' structures constructed with rings of other sizes. Extrapolations from the theory of
carbon clusters are described for doped fullerenes, metallocarbohedrenes, fully substituted boron-nitrogen heterofullerenes
and decorated-fullerene models for water clusters.</abstract><cop>London</cop><pub>The Royal Society</pub><doi>10.1098/rsta.1993.0039</doi><tpages>14</tpages></addata></record> |
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| ispartof | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 1993-04, Vol.343 (1667), p.39-52 |
| issn | 1364-503X 0962-8428 1471-2962 2054-0299 |
| language | eng |
| recordid | cdi_jstor_primary_54133 |
| source | JSTOR Archival Journals and Primary Sources Collection; Royal Society Publishing Jisc Collections Royal Society Journals Read & Publish Transitional Agreement 2025 (reading list) |
| subjects | Atoms Electronic structure Electrons Fullerenes Hexagons Isomers Molecules Pentagons Polyhedrons Symmetry |
| title | Systematics of Fullerenes and Related Clusters [and Discussion] |
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