X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frame.
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X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frame.

Kierspel, Thomas;Morgan, Andrew;Wiese, Joss;Mullins, Terry;Aquila, Andy;Barty, Anton;Bean, Richard;Boll, Rebecca;Boutet, Sébastien;Bucksbaum, Philip;Chapman, Henry N;Christensen, Lauge;Fry, Alan;Hunter, Mark;Koglin, Jason E;Liang, Mengning;Mariani, Valerio;Natan, Adi;Robinson, Joseph;Rolles, Daniel;Rudenko, Artem;Schnorr, Kirsten;Stapelfeldt, Henrik;Stern, Stephan;Thøgersen, Jan;Yoon, Chun Hong;Wang, Fenglin;Küpper, Jochen;
The Journal of Chemical Physics 2020 Vol. 152 pp. 084307
212
kierspel2020xraythe

Abstract

We report experimental results on the diffractive imaging of three-dimensionally aligned 2,5-diiodothiophene molecules. The molecules were aligned by chirped near-infrared laser pulses, and their structure was probed at a photon energy of 9.5 keV (λ ≈ 130 pm) provided by the Linac Coherent Light Source. Diffracted photons were recorded on the Cornell-SLAC pixel array detector, and a two-dimensional diffraction pattern of the equilibrium structure of 2,5-diiodothiophene was recorded. The retrieved distance between the two iodine atoms agrees with the quantum-chemically calculated molecular structure to be within 5%. The experimental approach allows for the imaging of intrinsic molecular dynamics in the molecular frame, albeit this requires more experimental data, which should be readily available at upcoming high-repetition-rate facilities.

Keywords

piezoelectricity phase transformation bnt–bt x-ray powder diffraction actuating materials ferroelectrics lead-free piezoceramics relaxor self-heating

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DOI:
10.1063/1.5133963

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ID: 99806
Ref Key: kierspel2020xraythe
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