Crystallography aided by atomic core-level binding energies: Proton transfer versus hydrogen bonding in organic crystal structures

Research output: Contribution to journalArticle

  • External authors:
  • Joanna S. Stevens
  • Stephen J. Byard
  • Colin C. Seaton
  • Ghazala Sadiq
  • Sven L M Schroeder


Ionic bond or hydrogen bridge? Brønsted 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 (see picture). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bibliographical metadata

Original languageEnglish
Pages (from-to)9916-9918
JournalAngewandte Chemie - International Edition
Issue number42
Publication statusPublished - 10 Oct 2011