Premium
Crystallography Aided by Atomic Core‐Level Binding Energies: Proton Transfer versus Hydrogen Bonding in Organic Crystal Structures
Author(s) -
Stevens Joanna S.,
Byard Stephen J.,
Seaton Colin C.,
Sadiq Ghazala,
Davey Roger J.,
Schroeder Sven L. M.
Publication year - 2011
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201103981
Subject(s) - binding energy , hydrogen bond , x ray photoelectron spectroscopy , ionic bonding , proton , chemistry , crystallography , cocrystal , ion , molecule , atomic physics , nuclear magnetic resonance , organic chemistry , physics , quantum mechanics
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).