" The vibrational properties of the
 bee-killer imidacloprid insecticide: A molecular
 description"

I have no clue how HPLC could possibly be used to determine vibrational modes of any molecule as implied by this abstract.  So, it seems some meaning has been lost by the time it got to Peter's post.

I do understand how models can be used to calculate both IR and Raman active bands based on vibrational modes of a molecule and why different models give modestly different results.  It is simply because they are approximate models of reality and is to be expected.  It is curious they wasted puter time doing the calcs when it would be so easy to go to the lab and simply measure the active bands.

What all this has to do with the trace amounts found in the field is a total puzzle.  Raman is notoriously insensitive and non specific while IR has limited resolution power as everything with a molecular dipole absorbs in the IR which means everything you run into besides oxygen and nitrogen absorb.  How you are going to directly see small amounts of any pesticide in the vast array of absorptions from other components in the environment is a total puzzle.

Are you sure this double speak stuff is not a joke to illustrate most anything can get published these days?

Dick

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