Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Alternant Mobius Hydrocarbons

Consequently, the requirement that non-bonding orbitals be either completely filled or empty leads to the Mobius 4 n rule for cyclic delocalisation. [Pg.39]

The combination of Hiickel and Mobius generalisations can be utilised to restate the Woodward-Hoffmann rules [31], in a manner that has been popularised by Zunmermann [Pg.39]


We start with some biographical notes on Erich Huckel, in the context of which we also mention the merits of Otto Schmidt, the inventor of the free-electron model. The basic assumptions behind the HMO (Huckel Molecular Orbital) model are discussed, and those aspects of this model are reviewed that make it still a powerful tool in Theoretical Chemistry. We ask whether HMO should be regarded as semiempirical or parameter-free. We present closed solutions for special classes of molecules, review the important concept of alternant hydrocarbons and point out how useful perturbation theory within the HMO model is. We then come to bond alternation and the question whether the pi or the sigma bonds are responsible for bond delocalization in benzene and related molecules. Mobius hydrocarbons and diamagnetic ring currents are other topics. We come to optimistic conclusions as to the further role of the HMO model, not as an approximation for the solution of the Schrodinger equation, but as a way towards the understanding of some aspects of the Chemical Bond. [Pg.618]


See other pages where Alternant Mobius Hydrocarbons is mentioned: [Pg.39]    [Pg.39]    [Pg.39]    [Pg.39]    [Pg.136]   


SEARCH



Alternant hydrocarbon

Alternate hydrocarbon

Alternating hydrocarbons

© 2024 chempedia.info