Development of Time-Resolved X-Ray Crystallography

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: closed (31 March 2017)

Special Issue Editor


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Guest Editor
Department of Physics, University of Siegen, 57068 Siegen, Germany
Interests: microscopic origin of physical properties of crystals; crytallography and physical properties of ferroelectric materials; single-crystal X-ray diffractometry; physics of piezoelectric materials; perturbation crystallography; investigation of electron density and chemical bonds in crystals; time resolved X-ray diffraction; domains dynamics in ferroic materials

Special Issue Information

Dear Colleagues,

Since the discovery of X-ray diffraction in 1912, X-ray crystallography has become a major experimental technique, which shapes modern solid state science. The development of X-ray diffractometers, third-generation synchrotron radiation sources, pixel array detectors, data-analysis algorithms, and software packages have made crystal structure determinations routine in almost all occasions.

However, the same instrumental developments have initiated the emergence of time-resolved X-ray crystallography—an innovative experimental science—which investigates the dynamics of solids and questions how crystal structures adapt to rapidly changing external conditions. It covers the processes, occurring on time scales between femtoseconds and seconds, and within the length scales between pico-meters and the macroscopic dimensions of a material. Time-resolved X-ray crystallography is of interest for the communities of crystallographers, solid state physicists, material scientists, chemists, and biologists. It also poses a serious challenge for instrumental science. The on-going development of diffraction-limited synchrotron storage rings and X-ray free electron lasers offers a particularly exciting and largely unexplored research venue.

This Special Issue is intended to provide a reference for the state-of-the-art in time-resolved X-ray crystallography. We welcome submissions related to original research, reviews, approaches for data-analysis, and relevant instrumental developments, including modern synchrotron diffraction opportunities, X-ray free electron lasers, multi-channel analyzers, and lab-based pulsed X-ray sources.

Dr. Semën Gorfman
Guest Editor

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Keywords

  • time-resolved X-ray diffraction
  • structural dynamics
  • stroboscopic data-acquisitions
  • Laue diffraction

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Published Papers (1 paper)

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Article
From Rate Measurements to Mechanistic Data for Condensed Matter Reactions: A Case Study Using the Crystallization of [Zn(OH2)6][ZnCl4]
by Berkley G. Hillis, Bradley P. Losey, James Weng, Nezar Ghaleb, Feier Hou and James D. Martin
Crystals 2017, 7(1), 11; https://doi.org/10.3390/cryst7010011 - 31 Dec 2016
Cited by 9 | Viewed by 5949
Abstract
The kinetics of crystallization of the R = 3 hydrate of zinc chloride, [Zn(OH2)6][ZnCl4], is measured by time-resolved synchrotron x-ray diffraction, time-resolved neutron diffraction, and by differential scanning calorimetry. It is shown that analysis of the rate [...] Read more.
The kinetics of crystallization of the R = 3 hydrate of zinc chloride, [Zn(OH2)6][ZnCl4], is measured by time-resolved synchrotron x-ray diffraction, time-resolved neutron diffraction, and by differential scanning calorimetry. It is shown that analysis of the rate data using the classic Kolmogorov, Johnson, Mehl, Avrami (KJMA) kinetic model affords radically different rate constants for equivalent reaction conditions. Reintroducing the amount of sample measured by each method into the kinetic model, using our recently developed modified-KJMA model (M-KJMA), it is shown that each of these diverse rate measurement techniques can give the intrinsic, material specific rate constant, the velocity of the phase boundary, vpb. These data are then compared to the velocity of the crystallization front directly measured optically. The time-resolved diffraction methods uniquely monitor the loss of the liquid reactant and formation of the crystalline product demonstrating that the crystallization of this hydrate phase proceeds through no intermediate phases. The temperature dependent vpb data are then well fit to transition zone theory to extract activation parameters. These demonstrate that the rate-limiting component to this crystallization reaction is the ordering of the waters (or protons) of hydration into restricted positions of the crystalline lattice resulting in large negative entropy of activation. Full article
(This article belongs to the Special Issue Development of Time-Resolved X-Ray Crystallography)
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