The High Energy Density Scientific Instrument at the European XFEL.

The European XFEL delivers up to 27000 intense (>1012 photons) pulses per second, of ultrashort (≤50 fs) and transversely coherent X-ray radiation, at a maximum repetition rate of 4.5 MHz. Its unique X-ray beam parameters enable groundbreaking experiments in matter at extreme conditions at the High Energy Density (HED) scientific instrument. The performance of the HED instrument during its first two years of operation, its scientific remit, as well as ongoing installations towards full operation are presented. Scientific goals of HED include the investigation of extreme states of matter created by intense laser pulses, diamond anvil cells, or pulsed magnets, and ultrafast X-ray methods that allow their diagnosis using self-amplified spontaneous emission between 5 and 25 keV, coupled with X-ray monochromators and optional seeded beam operation. The HED instrument provides two target chambers, X-ray spectrometers for emission and scattering, X-ray detectors, and a timing tool to correct for residual timing jitter between laser and X-ray pulses.

Open-Source Portable Device for the Determination of Fluoride in Drinking Water.

The prolonged exposure to fluorides results in the development of several diseases, from dental fluorosis to crippling deformities of the spine and major joints. The population exposed to high fluoride concentration is located in developing countries where the assurance of water quality is difficult to perform. Addressing this challenge, an open-source system for the determination of fluoride in natural water was developed using the equilibrium between the red Fe-SCN complex and the colorless Fe-F. The reaction develops in cotton substrates to reduce the manipulation of liquid reagents and reduce the errors by nontrained operators. The system was optimized by image analysis and implemented in an open-source Arduino-based device and data was acquired through the serial port of a cell phone, which is also used as a power source, avoiding the use of a battery and reducing production costs. The device showed a detection limit of 0.7 mg L-1 and a linear range of up to 8 mg L-1. This extended detection limit makes the device useful for the application in regions where the fluoride concentration in drinking water is far higher than the United Nations limit (1.5 mg L-1), e.g., the United Republic of Tanzania, where the upper limit of F- was extended to 4 mg L-1 or in USA, where the Environmental Protection Agency established the Maximum Contaminant Level of F- in drinking water at 4 mg L-1. The method was tested with natural waters from the Arusha region in the northeast of Tanzania and validated against the results from ion chromatography showing a good correlation. The developed device exhibits chemical stability of 5 days, allowing it to be manufactured and distributed in local areas and, also, modified according to the requirements of the water composition due to Industry 4.0 concepts used in the design.

Ultrafast ring-closure reaction of photochromic indolylfulgimides studied with UV-pump-IR-probe spectroscopy.

The ring-opening and ring-closure reactions of a photochromic indolylfulgimide are investigated with femtosecond vibrational spectroscopy. Spectral signatures due to excited-state decay and vibrational cooling are seen in the mid-IR region. For the ring-opening reaction triggered with visible pulses, a lifetime of the excited electronic state of 4 ps was obtained in polar solution. In a nonpolar solvent, this time constant is reduced to 2 ps. The ring-closure reaction induced with UV pulses displays an excited-state lifetime and thus a building of the photoproduct of roughly 0.5 ps. For all processes, the subsequent cooling occurs on a 15-ps time scale lasting up to approximately 50 ps. The time-resolved IR measurements do not support the existence of any long-living intermediate states.

Comparing a photoinduced pericyclic ring opening and closure: differences in the excited state pathways.

The photochromicity of fulgimides rests on the existence of open (E) and closed ring (C) isomers. As predicted by the Woodward-Hoffmann rules both isomers can photochemically be interconverted. This interconversion has been studied by femtosecond fluorescence and transient absorption spectroscopy. For either direction (E --> C cyclization and C --> E cycloreversion) a biphasic fluorescence decay on the 0.1-1 ps time scale is observed. The longer time constants of the decays equal the formation times of the photoproducts. The time constants retrieved (0.06 and 0.4 ps for E --> C, 0.09 and 2.4 ps for C --> E) and the associated spectral signatures differ substantially. This indicates that no common excited-state pathway for the two directions exists, as one would infer from a simple Woodward-Hoffmann consideration. These findings support recent quantum dynamic calculations on the excited-state topology of fulgimides.

Ultrafast structural dynamics of photochromic indolylfulgimides studied by vibrational spectroscopy and DFT calculations.

The structural dynamics of the ring-opening reaction in a photochromic indolylfulgimide, a reversible, ultrafast photoswitch, is investigated by ultra-broadband time-resolved vibrational spectroscopy. The experimentally observed vibrational modes of the indolylfulgimide photoisomers C and E are assigned to normal modes with the help of DFT calculations. A complete evaluation of the observed vibrational dynamics including excited-state vibrational modes is used to characterize the reaction path and the cooling behavior of the photoswitch.