Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands

Photoinduced spin transitions are studied by femtosecond electron diffraction to understand ultrafast structural dynamics associated with intersystem crossing. The results indicate the structural reorganization occurs within 2.3 ps, as the metal-ligand bond distribution narrows during intramolecular vibrational energy redistribution.

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Structural Dynamics upon Photoexcitation in a Spin Crossover Crystal Probed with Femtosecond Electron Diffraction

Angewandte Chemie ◽

10.1002/ange.201702497 ◽

2017 ◽

Vol 129 (25) ◽

pp. 7236-7240 ◽

Cited By ~ 5

Author(s):

Yifeng Jiang ◽

Lai Chung Liu ◽

Henrike M. Müller-Werkmeister ◽

Cheng Lu ◽

Dongfang Zhang ◽

...

Keyword(s):

Electron Diffraction ◽

Structural Dynamics ◽

Spin Crossover ◽

Femtosecond Electron Diffraction

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Structural Dynamics upon Photoexcitation in a Spin Crossover Crystal Probed with Femtosecond Electron Diffraction

Angewandte Chemie International Edition ◽

10.1002/anie.201702497 ◽

2017 ◽

Vol 56 (25) ◽

pp. 7130-7134 ◽

Cited By ~ 22

Author(s):

Yifeng Jiang ◽

Lai Chung Liu ◽

Henrike M. Müller-Werkmeister ◽

Cheng Lu ◽

Dongfang Zhang ◽

...

Keyword(s):

Electron Diffraction ◽

Structural Dynamics ◽

Spin Crossover ◽

Femtosecond Electron Diffraction

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Spin crossover, dimerization, and structural dynamics of manganocenes probed by deuterium NHR spectroscopy

Inorganic Chemistry ◽

10.1021/ic00039a034 ◽

1992 ◽

Vol 31 (13) ◽

pp. 2853-2859 ◽

Cited By ~ 22

Author(s):

Frank H. Koehler ◽

Bjoern Schlesinger

Keyword(s):

Structural Dynamics ◽

Spin Crossover

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Structural dynamics of photoinduced molecular switching in the solid state

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767309051046 ◽

2010 ◽

Vol 66 (2) ◽

pp. 189-197 ◽

Cited By ~ 52

Author(s):

Hervé Cailleau ◽

Maciej Lorenc ◽

Laurent Guérin ◽

Marina Servol ◽

Eric Collet ◽

...

Keyword(s):

Solid State ◽

Structural Dynamics ◽

Degrees Of Freedom ◽

Spin Crossover ◽

Structural Information ◽

Fast Time ◽

X Ray Diffraction ◽

Time Resolved ◽

Molecular Switching ◽

X Ray

Fast and ultra-fast time-resolved diffraction is a fantastic tool for directly observing the structural dynamics of a material rearrangement during the transformation induced by an ultra-short laser pulse. The paper illustrates this ability using the dynamics of photoinduced molecular switching in the solid state probed by 100 ps X-ray diffraction. This structural information is crucial for establishing the physical foundations of how to direct macroscopic photoswitching in materials. A key feature is that dynamics follow a complex pathway from molecular to material scales through a sequence of processes. Not only is the pathway indirect, the nature of the dynamical processes along the pathway depends on the timescale. This dictates which types of degrees of freedom are involved in the subsequent dynamics or kinetics and which are frozen or statistically averaged. We present a recent investigation of the structural dynamics in multifunctional spin-crossover materials, which are prototypes of molecular bistability in the solid state. The time-resolved X-ray diffraction results show that the dynamics span from subpicosecond molecular photoswitching followed by volume expansion (on a nanosecond timescale) and additional thermoswitching (on a microsecond timescale).

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Spin-crossover in an iron(iii) complex showing a broad thermal hysteresis

Dalton Transactions ◽

10.1039/d0dt03610b ◽

2021 ◽

Author(s):

Cyril Rajnák ◽

Romana Mičová ◽

Ján Moncoľ ◽

Ľubor Dlháň ◽

Christoph Krüger ◽

...

Keyword(s):

Schiff Base ◽

Schiff Base Ligand ◽

Spin Crossover ◽

Thermal Hysteresis ◽

Mononuclear Complex ◽

Hysteresis Width ◽

Thermally Induced

A pentadentate Schiff-base ligand 3,5Cl-L2− and NCSe− form a iron(iii) mononuclear complex [Fe(3,5Cl-L)(NCSe)], which shows a thermally induced spin crossover with a broad hysteresis width of 24 K between 123 K (warming) and 99 K (cooling).

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Structural dynamics of P-type ATPase ion pumps

Biochemical Society Transactions ◽

10.1042/bst20190124 ◽

2019 ◽

Vol 47 (5) ◽

pp. 1247-1257 ◽

Cited By ~ 17

Author(s):

Mateusz Dyla ◽

Sara Basse Hansen ◽

Poul Nissen ◽

Magnus Kjaergaard

Keyword(s):

Structural Dynamics ◽

Single Molecule ◽

New Technologies ◽

Atp Hydrolysis ◽

Resonance Energy Transfer ◽

Resonance Energy ◽

Time Resolved ◽

Dynamics Simulations ◽

Types Of Information ◽

P Type

Abstract P-type ATPases transport ions across biological membranes against concentration gradients and are essential for all cells. They use the energy from ATP hydrolysis to propel large intramolecular movements, which drive vectorial transport of ions. Tight coordination of the motions of the pump is required to couple the two spatially distant processes of ion binding and ATP hydrolysis. Here, we review our current understanding of the structural dynamics of P-type ATPases, focusing primarily on Ca2+ pumps. We integrate different types of information that report on structural dynamics, primarily time-resolved fluorescence experiments including single-molecule Förster resonance energy transfer and molecular dynamics simulations, and interpret them in the framework provided by the numerous crystal structures of sarco/endoplasmic reticulum Ca2+-ATPase. We discuss the challenges in characterizing the dynamics of membrane pumps, and the likely impact of new technologies on the field.

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