Ralf Haiges - On the free pair activation of valence electrons.

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      Publication Details (including relevant citation   information): Rahm, Martin, Haiges, Ralf, Dixon, David   A., Christe, Karl O., Abstracts of Papers, 243rd ACS National   Meeting & Exposition, San Diego, CA, United States, March   25-29, 2012, 2012, pp INOR-52

      Abstract: Chem. environment, e.g. solid-state   vs. gas-phase, can be of principal importance for intramol.   geometries of heavy main-group complexes. A postulated Free Pair   Activation (FPA) effect has been investigated by high-level   quantum mech. methods and X-ray spectroscopic studies. The   possibility of tuning the steric activity of free valence   electron pairs through modulation of chem. environment will be   discussed. Suitable theor. methodologies for capturing such   effects will be addressed. [on SciFinder(R)]

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