Title of article :
Bond-switch defects in carbon allotropes: Stone-Wales and connected exchange
Author/Authors :
Balaban، نويسنده , , Alexandru T.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
4
From page :
50
To page :
53
Abstract :
By analogy with the Stone–Wales rearrangement in sp2-hybridized carbon allotropes that involves turning one CC bond by 90° in a graphene sheet and reconnecting it cross-wise with two carbon atoms, the similar rearrangement for the diamond lattice was called connected exchange. In this case one C–C bond in the diamond lattice involving sp3-hybridized atoms is switched such that two anti bonds exchange one of their endpoints. As a result of this connected exchhange one obtains a defect in the diamond lattice with four 5-membered and four 7-membered rings. For the hydrocarbon pyracyclene with sp2-hybridized atoms, the Stone–Wales rearrangement is degenerate (automerization). By analogy, one can imagine a hydrocarbon having sp3-hybridized atoms that could undergo a degenerate connected exchange.
Journal title :
Chemical Physics Letters
Serial Year :
2013
Journal title :
Chemical Physics Letters
Record number :
1934671
Link To Document :
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