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Molecular-orbital calculations electrocyclic reactions

Why is the thermal stability of diarylethene derivatives enhanced by replacing phenyl groups with furan or thiophene groups In molecular orbitals calculation, the photochromic reaction is treated as a typical electrocyclic reaction between hexatriene and cyclohexadiene. The thermal reaction proceeds disrotatorily and the photoreaction, conrotatorily. Disrotatory cyclization of A to B requires an increase in free energy larger than 138 kJ/mol, and hence no thermal ring-closure occurs in the case of either phenyl- or furan-substituted molecules (see... [Pg.89]


See other pages where Molecular-orbital calculations electrocyclic reactions is mentioned: [Pg.115]    [Pg.295]    [Pg.127]    [Pg.2]    [Pg.74]    [Pg.321]    [Pg.707]    [Pg.487]    [Pg.531]   
See also in sourсe #XX -- [ Pg.95 , Pg.97 , Pg.348 , Pg.490 , Pg.531 ]




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