Neutron photocrystallography
Simulation and experiment
OPEN ACCESS
Loading...
Author / Producer
Date
2008
Publication Type
Journal Article
ETH Bibliography
yes
OPEN ACCESS
Data
Rights / License
Abstract
The investigation of light-induced structural changes by diffractive methods has improved significantly in the last two decades. We present here the case of neutron photocrystallography for which we have built a special experimental setup at the single crystal neutron diffractometer TriCS at the Swiss Spallation Neutron Source SINQ. We illustrate the progress of the method on the example of the structural determination of photoinduced nitrosyl linkage-isomers in Na2[Fe(CN)5NO] 2 H2O. The in-situ determination of the population of the light-induced linkage isomers by optical transmission measurements enhances the reliability of such structural investigations considerably. Additionally we present a new simulation tool within the program package JANA2006 which allows to plan a photocrystallographic experiment thoroughly since the required q-range, the minimally needed population of the photoinduced species, as well as the necessary counting statistics for a successful single crystal diffraction experiment can be evaluated in advance.
Permanent link
Publication status
published
External links
Editor
Book title
Volume
223 (4-5)
Pages / Article No.
259 - 264
Publisher
Oldenbourg
Event
Edition / version
Methods
Software
Geographic location
Date collected
Date created
Subject
Photocrystallography with neutrons; Experiment simulation; Metastable states
Organisational unit
02509 - Laboratorium für Neutronenstreuung / Laboratory for Neutron Scattering
Notes
It was possible to publish this article open access thanks to a Swiss National Licence with the publisher.