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Crystallography Aided by Atomic Core-Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures |
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| Authors: | Stevens Joanna S Byard Stephen J Seaton Colin C Sadiq Ghazala Davey Roger J Schroeder Sven L M |
| Institution: | School of Chemical Engineering and Analytical Science, The University of Manchester, Oxford Road, Manchester, M13 9PL (UK). |
| Abstract: | Ionic bond or hydrogen bridge? Br?nsted proton transfer to nitrogen acceptors in organic crystals causes strong N1s core-level binding energy shifts. A study of 15 organic cocrystal and salt systems shows that standard X-ray photoelectron spectroscopy (XPS) can be used as a complementary method to X-ray crystallography for distinguishing proton transfer from H-bonding in organic condensed matter. |
| Keywords: | hydrogen bonds photoelectron spectroscopy protonation solid‐state structures X‐ray diffraction |
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