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Natural bond orbital polyene

It should be noted, on the other hand, that a symmetry reduction is predicted even in molecules II, VIII and XIII whose peripheral skeletons correspond to 4n-l-2 cyclic polyenes. The transannular bonds in these molecules are different in nature from those mentioned above. For example, the introduction of the transannular bonds between atoms 2 and 8 and between 3 and 7 of cyclododecapentaene to form bowtiene (II) (Fig. 3) brings about the splitting of the top filled degenerate orbitals of the unperturbed system into two levels, one with its energy raised and... [Pg.15]


See other pages where Natural bond orbital polyene is mentioned: [Pg.29]    [Pg.17]    [Pg.166]    [Pg.2]    [Pg.94]    [Pg.89]    [Pg.8]    [Pg.92]    [Pg.127]    [Pg.690]    [Pg.2]    [Pg.133]    [Pg.746]    [Pg.13]    [Pg.122]    [Pg.157]    [Pg.206]    [Pg.606]    [Pg.136]    [Pg.111]   
See also in sourсe #XX -- [ Pg.180 , Pg.181 , Pg.182 , Pg.183 , Pg.184 , Pg.185 , Pg.186 , Pg.187 , Pg.188 , Pg.189 , Pg.190 , Pg.191 , Pg.192 , Pg.193 , Pg.194 , Pg.195 ]




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