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Issue 6, 2007
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Effects of molecular conformation on inner-shell ionization energies

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Abstract

Experimental evidence for an effect of molecular conformation on inner-shell ionization energies has been observed for the first time. Examples are seen in the carbon 1s spectra of butyronitrile, 1-fluoropropane, and propanal, and other similar molecules. At room temperature these exist in two different conformations, with different distances and, hence, different Coulombic interactions between the negatively charged electronegative group and the methyl carbon. The experimental results are in accord with theoretical predictions with respect to both ionization energies and populations of the different conformers.

Graphical abstract: Effects of molecular conformation on inner-shell ionization energies

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Publication details

The article was received on 17 Nov 2006, accepted on 29 Nov 2006 and first published on 14 Dec 2006


Article type: Paper
DOI: 10.1039/B616824H
Phys. Chem. Chem. Phys., 2007,9, 719-724

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    Effects of molecular conformation on inner-shell ionization energies

    T. D. Thomas, L. J. Sæthre and K. J. Børve, Phys. Chem. Chem. Phys., 2007, 9, 719
    DOI: 10.1039/B616824H

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