1,3-dipolar cycloaddition reactions of C-60 with 3-phenyl-phthalazinium-1-olate. A theoretical study

Date

2002-07-26

Author

Türker, Burhan Lemi

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1,3-Dipolar cycloaddition products of the reaction between C-60 and 1-phenyl-phthalazinium-1-olate were studied within the framework of AM1(RHF) level. The reactions involving the double bond between two hexagons and a hexagon and a pentagon, as well as the cycloaddition products followed by disrotatory (sigma)2(s) + (pi)4(s) electrocyclic ring openings were considered. Also for some of the structures calculated H-1 NMR spectra at the level of TNDO/2 method were presented.

Subject Keywords

1,3-dipolar cycloadditions, AM1 calculations, Phthalazinium betaines, Cycloadditions, Fullerenes; C-60

URI

https://hdl.handle.net/11511/62387

Collections

Department of Chemistry, Article