1,3 - dipolar cycloaddition reaction of some 3 - arylphthalazinium - 1 - olates.

1982
Dikel, Ali Murat

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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.
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In the present study, the molecular orbital properties of 1,3-dipolar cycloaddition products of 1-methyl-3-oxidopyridinium betaine with C-70 have been investigated theoretically at the level of PM3 (RHF) type semi empirical quantum chemical calculations and then single point DFT calculations were performed for the energies. The betaine acts as a 4 pi-component across its 2,6-positions and certain C=C bonds of C-70 act as 2 pi-component in the 1,3-dipolar cycloadditions considered presently. Various cycloadd...
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Ionic liquids (ILs) are organic molten salts with melting points below 100 °C .Owing to their remarkable properties, they have been widely used for various applications as environmentally benign alternative to volatile organic solvents over the last decade [1,2]. In recent years the new generation of ILs called tunable aryl alkyl ionic liquids (TAAILs) has drawn attention for modifying the properties of ILs for specific applications [3,4]. Unlike commonly known alkyl substituted ILs the prop...
Citation Formats
A. M. Dikel, “1,3 - dipolar cycloaddition reaction of some 3 - arylphthalazinium - 1 - olates.,” Middle East Technical University, 1982.