Multiple rare-earth ion environments in amorphous<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi mathvariant="normal">G</mml:mi><mml:msub><mml:mi mathvariant="normal">d</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mn>0.230</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:msub>

Cole, Jacqueline M.; Cramer, Alisha J.; Shastri, S. D.; Mukaddem, Karim T.; Newport, Robert J.

doi:10.1103/physrevmaterials.2.045604

Cited by 1 publication

(1 citation statement)

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“…The coefficients C 1 , C 2 , and C 3 were calculated by maximizing the Pearson correlation coefficients between ΔG sim ( r ) light – dark and ΔG exp ( r ) light – dark using the generalized reduced gradient method of Microsoft Excel Solver over a low- r region (region 1 in Table ), which describes the bond lengths most closely associated with the SO 2 ligand. Pearson correlation coefficients, ρ, are statistical measures that have previously been used to quantify the agreement between difference pair distribution functions. − ρ can range between −1 and 1 with the former signifying a perfectly negative correlation and the latter a perfectly positive correlation. A coefficient of 0 signifies no correlation at all .…”

Section: Methodsmentioning

confidence: 99%

Local Atomic Structure in Photoisomerized Ruthenium Sulfur Dioxide Complexes Revealed by Pair Distribution Function Analysis

et al. 2020

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SO2 linkage photoisomerization in crystalline ruthenium-based complexes has demonstrated nanophotonic phenomena such as optical switching and nano-optomechanical transduction. Molecular insights into these materials have been explored largely via the characterization of their photoinduced crystal structures via in situ single-crystal X-ray diffraction, known as photocrystallography. Photoinduced molecular disorder is present, which photocrystallography can model to the extent that it is confined within the periodic boundary of a unit cell. However, non-periodic molecular disorder is suspected to exist as well. In situ total scattering experiments were therefore carried out on finely powdered crystals of four ruthenium–sulfur dioxide complexes. Data were modeled using ‘light-minus-dark’ difference pair distribution function analysis, which afforded photoinduced structural changes exclusively. This revealed structural features that were first compared against models of photoinduced crystal structures known a priori from photocrystallography. Statistical inference was then employed, which evidenced generally good agreement between the total scattering data and the photocrystallographic models, while revealing real differences that are indicative of a structure with only a short-range order. Overall, our findings demonstrate that in situ light-induced total scattering experiments on finely powdered crystals are able to reveal the photoinduced structure. The evidence suggests that such structure could include a short-range order as well as photocrystallographic content. Our demonstration experiment offers a pathway to develop studies that capture the short-range order in linkage photoisomers, while we have outlined the procedure for testing the validity of associated structural models.

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