Abstract
The microscopic structure of two new infrared-driven amorphous white light generators, namely [(PhSn)4S6] and [(CpSn)4S6] and a related amorphous material [(NpSn)4S6], showing 2nd harmonics generation instead, were explored by X-ray and neutron diffraction, EXAFS and Reverse Monte Carlo simulations to explore relations between their extreme nonlinear optical behavior and microscopic structural properties. The current state of research is reported and experimental and simulation results are discussed. The prominent observation is that the molecular units are distorted in the WLG materials which seems not to be the case for the 2nd harmonics generator. Associated is the formation of a net of similarly spaced intra- and intermolecular sulfur atoms which is interpreted as a vibrational network that could explain the high receptivity of the material for infrared radiation. It is also found that the molecules arrange in chains with staggered configuration regarding the arrangement of the organic ligands.
| Original language | English |
|---|---|
| Article number | 091004 |
| Number of pages | 11 |
| Journal | Journal of the Physical Society of Japan |
| Volume | 91 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - 15 Sept 2022 |
Bibliographical note
We express our gratitude for funding by the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG), Grant No. 398143140, related to the Research Unit FOR 2824. The authors also acknowledge Dr. Gabriel Cuello and Dr. Henry Fischer for their support in the neutron scattering experiment at D4C54) of the Institute Laue–Langevin (ILL) in Grenoble (experiment No. 6-05-1019). We also acknowledge the great working conditions and support of the following large-scale facilities: German Electron Synchrotron (Deutsche Elektronen-Synchrotron, DESY, a member of the Helmholtz Association HGF), beamlines P65 (proposal ID I-20190122), P02.1 (proposal ID RAt-20010143), and the HiSOR facility of the Hiroshima Synchrotron Radiation Center (BL-11, proposal No. 20AG034).Funding
Acknowledgments We express our gratitude for funding by the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG), Grant No. 398143140, related to the Research Unit FOR 2824. The authors also acknowledge Dr. Gabriel Cuello and Dr. Henry Fischer for their support in the neutron scattering experiment at D4C54) of the Institute Laue–Langevin (ILL) in Grenoble (experiment No. 6-05-1019). We also acknowledge the great working conditions and support of the following large-scale facilities: German Electron Synchrotron (Deutsche Elektronen-Synchrotron, DESY, a member of the Helmholtz Association HGF), beamlines P65 (proposal ID I-20190122), P02.1 (proposal ID RAt-20010143), and the HiSOR facility of the Hiroshima Synchrotron Radiation Center (BL-11, proposal No. 20AG034). Stefanie Dehnen obtained her diploma in 1993 and her doctoral degree in 1996 from the University of Karlsruhe (KIT). After a postdoctoral stay in theoretical chemistry (1997) she completed her Habilitation in inorganic chemistry in 2004. As of 2006 she has been Full Professor of Inorganic Chemistry at Philipps-Universität Marburg. She is a full member of the European Academy of Sciences (EurASc) and of Leopoldina German National Academy of Sciences and awardee of the 2022 Leibniz Prize from the German Research Foundation (DFG). Her current research is focused on the synthesis and experimental as well as quantum chemical investigation of compounds with multinary, in particular multimetallic, molecular nano-architectures, which possess potential as innovative catalysts, white-light emitters, or battery materials.
ASJC Scopus subject areas
- General Physics and Astronomy