Synchrotron radiation is always better, right? In this webinar, several
examples of powder diffraction patterns both from lab equipment and from
synchrotron experiments will demonstrate that lab data can be as
accurate as synchrotron data. For some high-absorption amalgam samples,
results of Rietveld refinements are compared and show that the big
advantage of synchrotron data only lies in the much shorter acquisition
times.

47 min.

Today, the continuous improvement of diffractometers and data reduction software routinely allows the collection of high-quality data sets, leading to crystallographic models which are often limited by the neglection of chemical features (e.g. residual desity on chemical bonds) through the use of non-interacting, spherically averaged atomic form factors, also referred to as the Independent Atom Model (IAM). With the increase in computing power, more accurate non-spherical form factors can be calculated for example using a quantum mechanical software and the Hirshfeld partitioning scheme …

52 min.

Crystallography of functional materials aims for explaining the observed functional properties based on the underlying structural features, ideally in in-operando or in-situ conditions. We present a laboratory single-crystal X-ray diffraction (XRD) setup designed for the measurement of static and time-resolved XRD patterns as a function of temperature, light irradiation, pressure, and electric field. Moreover, our setup allows for in-situ measurement of the optical (luminescence, absorption) properties upon continuous wave (cw) or pulsed Laser excitation of the sample. The time-resolution of the optical experiments is nanoseconds while the time resolution of the XRD is milliseconds. Using this setup, we can investigate numerous phenomena induced by the external stimuli and derive structure-property relationships. After the introduction of the measurement principle and addressing some metrological questions, we show through the example of photoinduced linkage isomers how the combination of XRD with in-situ static and transient absorption spectroscopy can help understand the underlying photoswitching mechanism [1,2].

47 min.

Today, the continuous improvement of diffractometers and data reduction software routinely allows the collection of high-quality data sets, leading to crystallographic models which are often limited by the neglection of chemical features (e.g. residual desity on chemical bonds) through the use of non-interacting, spherically averaged atomic form factors, also referred to as the Independent Atom Model (IAM). With the increase in computing power, more accurate non-spherical form factors can be calculated for example using a quantum mechanical software and the Hirshfeld partitioning scheme …

37 min.