New methods in time-resolved Laue pump-probe crystallography at synchrotron sources.
Newly developed methods for time-resolved studies using the polychromatic and in particular the pink-Laue technique, suitable for medium and small-size unit cells typical in chemical crystallography, are reviewed. The order of the sections follows that of a typical study, starting with a description of the pink-Laue technique, followed by the strategy of data collection for analysis with the RATIO method. Novel procedures are described for spot integration, orientation matrix determination for relatively sparse diffraction patterns, scaling of multi-crystal data sets, use of Fourier maps for initial assessment and analysis of results, and least-squares refinement of photo-induced structural and thermal changes. In the calculation of Fourier maps a ground-state structure model, typically based on monochromatic results, is employed as reference, and the laser-ON structure factors for the Fourier summations are obtained by multiplying the reference ground-state structure factors by the square root of the experimental ON/OFF ratios. A schematic of the procedure followed is included in the conclusion section.
Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
Philip
P
Coppens
Chemistry Department, University at Buffalo, State University of New York, Buffalo, NY 14260-3000, USA.
Bertrand
B
Fournier
D000818:Animals; D018360:Crystallography, X-Ray / Q000379:methods*; D003625:Data Collection; D046911:Macromolecular Substances / Q000528:radiation effects*; D008961:Models, Structural; D017356:Synchrotrons; D014961:X-Ray Diffraction / Q000379:methods
D046911:Macromolecular Substances
multicrystal data sets; orientation matrix determination; photocrystallography; pink-Laue; spot integration