Output details
12 - Aeronautical, Mechanical, Chemical and Manufacturing Engineering
University of Manchester : A - Chemical Engineering
Crystallography Aided by Atomic Core Level Binding Energies: Proton Transfer vs. Hydrogen Bonding in Organic Crystal Structures
The reliable determination of the locations of protons and hydrogen bonds is of central importance for establishing structure/performance relationships for pharmaceutical compounds in their formulations. The generalised analytical approach established in this paper overcomes the uncertainties associated with traditional analytical methods for the determination of proton and hydrogen positions in crystal structures (diffraction, NMR). This work formed the basis for the award of a subsequent 2 year measurement programme at the NIST (Nat'l Institute of Standards and Technology, USA) beamlines of the National Synchrotron Light Source (Brookhaven, USA).
