Re: Radical Dimerization

[Wai-To Chan <chan..at..curl.gkcl.yorku.ca>]

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 Hello,CCLers
 I want to study theoretically the Radical Dimerization
 of some monomers; I would like to know, in
 particularly, why some dimizations is not acceble (we
 can not build the polymer from this monomers). My
 question is: what are the properties (total energy,
 spin density, charge density  ), that I should
 calculate, in order to answer on this problem?
 Best regard
 may abdelghani
 >>>>>>>>>>>>>>>
    I assume the monomers you study are odd-electron radicals.
    Combination of two radicals to form a dimer sounds like the termination step
 in a free radical polymerization systems. If two radical
 monomers form a closed-shell dimer then I cannot figure how a polymer is formed.
     When you said 'dimerization is not *acceptable*' did you mean that
 dimerization is not desired for the purpose of the synthesis of a
 polymer or did you mean you cannot build a polymer because the
 radical monomers fail to dimerize?
    In certain areas of molecular engineering radical monomers are used
 in the synthesis of organic/inorganic conductor and molecular magnets.
 That is the only type of systems for which radical dimerization is
 an important issue I can think of. More details
 about the subject of your study may help you getting some useful
 hints for your investigation.
 Wai-To Chan