“…Taken as purely topological descriptions of interconversion processes, they can be used as the basis of a “fullerene road” 9,10 that connects the smallest fullerenes with hexagonal rings to the abundant C 60 and C 70 species and for construction of isomerization/growth maps that link isomers into families. Detailed quantum mechanical scrutiny confirms the high activation barriers expected when Figure is taken as a literal description of concerted atom movements but suggests topologically equivalent pathways with substantially lower barriers. , Generalizations to rearrangements that involve larger portions of the fullerene surface, or insertion/extrusion of larger C 2 m fragments, have also been proposed − and in some cases tested against quantum calculations. As these proposals have proliferated, the increasing need for a systematic treatment has been noted by several authors. , 1 The two simplest mechanisms for interconversion of fullerene polyhedra: (a) the Stone−Wales isomerization 7 and (b) the Endo−Kroto C 2 insertion …”
Section: Introductionmentioning
confidence: 77%
“…With I 3:1, again both fillings would usually be represented as distinct; with the addition of a spectator pentagon in the bay, for example, I 3:1 appears in Figure A of ref and in Figure of ref and was identified by Chiu et al . The long Stone−Wales transformations described by Balaban et al . are constructed by taking a string of 2k-2 peri-condensed hexagons with two pentagons on opposite sides at its ends, conserving the central zigzag path of 2k vertices but switching in parallel all connections from the 2k-2 inner points to the periphery.…”
Section: The Patchwork Cataloguementioning
confidence: 97%
“…Detailed quantum mechanical scrutiny confirms the high activation barriers expected when Figure 1 is taken as a literal description of concerted atom movements but suggests topologically equivalent pathways with substantially lower barriers. 12,13 Generalizations to rearrangements that involve larger portions of the fullerene surface, or insertion/extrusion of larger C 2m fragments, have also been proposed [14][15][16][17][18][19] and in some cases tested against quantum calculations. As these proposals have proliferated, the increasing need for a systematic treatment has been noted by several authors.…”
Representation of isomerization and carbon insertion or extrusion mechanisms as patch replacements on a fullerene surface allows construction of a catalogue of topologically distinct local transformations of fullerenes, classified by patch boundary and pentagon content. All isomerization patches and isomerization pairs containing up to five pentagons and with an upper limit for the boundary length depending on the number of pentagons are listed. Several infinite series of transformations are identified.
“…Taken as purely topological descriptions of interconversion processes, they can be used as the basis of a “fullerene road” 9,10 that connects the smallest fullerenes with hexagonal rings to the abundant C 60 and C 70 species and for construction of isomerization/growth maps that link isomers into families. Detailed quantum mechanical scrutiny confirms the high activation barriers expected when Figure is taken as a literal description of concerted atom movements but suggests topologically equivalent pathways with substantially lower barriers. , Generalizations to rearrangements that involve larger portions of the fullerene surface, or insertion/extrusion of larger C 2 m fragments, have also been proposed − and in some cases tested against quantum calculations. As these proposals have proliferated, the increasing need for a systematic treatment has been noted by several authors. , 1 The two simplest mechanisms for interconversion of fullerene polyhedra: (a) the Stone−Wales isomerization 7 and (b) the Endo−Kroto C 2 insertion …”
Section: Introductionmentioning
confidence: 77%
“…With I 3:1, again both fillings would usually be represented as distinct; with the addition of a spectator pentagon in the bay, for example, I 3:1 appears in Figure A of ref and in Figure of ref and was identified by Chiu et al . The long Stone−Wales transformations described by Balaban et al . are constructed by taking a string of 2k-2 peri-condensed hexagons with two pentagons on opposite sides at its ends, conserving the central zigzag path of 2k vertices but switching in parallel all connections from the 2k-2 inner points to the periphery.…”
Section: The Patchwork Cataloguementioning
confidence: 97%
“…Detailed quantum mechanical scrutiny confirms the high activation barriers expected when Figure 1 is taken as a literal description of concerted atom movements but suggests topologically equivalent pathways with substantially lower barriers. 12,13 Generalizations to rearrangements that involve larger portions of the fullerene surface, or insertion/extrusion of larger C 2m fragments, have also been proposed [14][15][16][17][18][19] and in some cases tested against quantum calculations. As these proposals have proliferated, the increasing need for a systematic treatment has been noted by several authors.…”
Representation of isomerization and carbon insertion or extrusion mechanisms as patch replacements on a fullerene surface allows construction of a catalogue of topologically distinct local transformations of fullerenes, classified by patch boundary and pentagon content. All isomerization patches and isomerization pairs containing up to five pentagons and with an upper limit for the boundary length depending on the number of pentagons are listed. Several infinite series of transformations are identified.
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