Fluorides and Oxide-Fluorides of d-Transition Elements

Leblanc, M.; Tressaud, A.

doi:10.1016/b978-0-08-097774-4.00207-2

Cited by 2 publications

(3 citation statements)

References 250 publications

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“…Because of the differences in hydrogen bonding and packing forces, one of the equilibrium conformations energetically allowed that complies with χ( R i , β j ) = 0 is then adopted, so that, collectively, these static crystal structures can be envisaged as snapshots of the complex during the S 1 –S 2 interconversion. With the extension of photocrystallography to the ultrafast regime, − it has become possible to infer χ( R i , β j ) = 0 from a direct tracking of transient structures. In many cases, χ( R i , β j ) = 0 can be expressed in terms of a few key structural parameters, thereby revealing the RC of the S 1 –S 2 interconversion.…”

Section: Results and Discussionmentioning

confidence: 99%

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

et al. 2015

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Establishing a tractable yet complete reaction coordinate for the spin-state interconversion in d4–d7 transition metal complexes is an integral aspect of controlling the dynamics that govern their functionality. For spin crossover phenomena, the limitations of a single-mode approximation that solely accounts for an isotropic increase in the metal–ligand bond length have long been recognized for all but the simple octahedral monodentate FeII compounds. However, identifying the coupled deformations that also impact on the unimolecular rate constants remains experimentally and theoretically challenging, especially for samples that do not display long-range order or when crystallization profoundly alters the dynamics. Owing to the rapid progress in ultrafast X-ray absorption spectroscopy (XAS), it is now possible to obtain transient structural information in any physical phase with unprecedented details. Using picosecond XAS and DFT modeling, the structure adopted by the photoinduced high-spin state of solvated [Fe(terpy)2]2+ (terpy: 2,2′:6′,2″-terpyridine) has been recently established. Based on these results, the methodology of the continuous shape measure is applied to classify and quantify the short-lived distortion of the first coordination shell. The reaction coordinate of the spin-state interconversion is clearly identified as a double axial bending. This finding sets a benchmark for gauging the influence of first-sphere and second-sphere interactions in the family of FeII complexes that incorporate terpy derivatives. Some implications for the optimization of related photoactive FeII complexes are also outlined

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Section: Results and Discussionmentioning

confidence: 99%

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

et al. 2015

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“…Fluorides are a versatile class of compounds, offering 0-dimensional to 3-dimensional structural motifs. The fundamental building blocks may consist of tetrahedral up to nonahedral units [1,2]. Among these, the octahedral coordination sphere is one of the most commonly observed structural motifs [1,3].…”

Section: Introductionmentioning

confidence: 99%

“…One example is (NH 4 ) 3 SnF 7 , which crystallizes in the cubic crystal system with the cell parameter a = 1208.6(1) pm and a volume of 1.765 nm 3 [20]. Here, we took the chance to characterize K 15 NaSn 5 F 36 , which also exhibits an unusually large unit cell ( hexagonal, a = 1060.3 (2), c = 2011.9(4) pm, V = 1.9588(7) nm 3 ), whilst containing only simple but uniquely arranged building blocks.…”

Section: Introductionmentioning

confidence: 99%

Serendipitous formation of K₁₅NaSn₅F₃₆

Stoll

Gerven

Huppertz

2020

Zeitschrift Für Naturforschung B

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K15NaSn5F36 crystallizes in the hexagonal crystal system with space group P63/m and lattice parameters of a = 1060.3(2) and c = 2011.9(4) pm. The unit-cell volume amounts to 1.9588(7) nm3. Its fundamental building blocks are quasi-isolated [SnF6]2− and [NaF6]5− octahedra, which are imbedded into a matrix of potassium cations. Within the structure, these units form a layer-like arrangement consisting either of mixed [SnF6]2−/[NaF6]5− or pure [SnF6]2− layers. The structural model was further confirmed by BLBS and CHARDI calculations.

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Fluorides and Oxide-Fluorides of d-Transition Elements

Cited by 2 publications

References 250 publications

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

Serendipitous formation of K₁₅NaSn₅F₃₆

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Fluorides and Oxide-Fluorides of d-Transition Elements

Cited by 2 publications

References 250 publications

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order

Serendipitous formation of K15NaSn5F36

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Serendipitous formation of K₁₅NaSn₅F₃₆