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Thread: detect/check flexible/rotatable bonds

  1. #1 detect/check flexible/rotatable bonds 
    New Member
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    Dec 2007
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    Hi,

    what is the best method or algorithm or where could I find information for, given a certain molecule, know what bonds are not rigid ? For instance in Ph-CH2-Ph, the CH2 carbon would you consider as rigid or as flexible ?

    Thanks


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  3. #2  
    Forum Professor
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    May 2005
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    Exactly what bond are you asking about? The carbon-hydrogen bond on the CH2? the carbon-carbon bond between the Ph and the CH2? And are you asking about rotation or bending?


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  4. #3  
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    I wanted to mean rotatable bonds, and the carbon-carbon bond between CH2 and Ph

    thanks
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  5. #4  
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    In general any sigma bond will usually have free rotation, as long as there's actually room for everything to rotate.
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