Search for: All records

A series of molecular rotors was designed to study and measure the rate accelerating effects of an intramolecular hydrogen bond. The rotors form a weak neutral O–H/O]C hydrogen bond in the planar transition state (TS) of the bond rotation process. The rotational barrier of the hydrogen bonding rotors was dramatically lower (9.9 kcal mol
1) than control rotors which could not form hydrogen bonds. The magnitude of the stabilization was significantly larger than predicted based on the independently measured strength of a similar OH/OC hydrogen bond (1.5 kcal mol-1). The origins of the large transition state stabilization were studied via experimental substituent effect and computational perturbation analyses. Energy decomposition analysis of the hydrogen bonding interaction revealed a significant reduction in the repulsive component of the hydrogen bonding interaction. The rigid framework of the molecular rotors positions and preorganizes the interacting groups in the transition state. This study demonstrates that with proper design a single hydrogen bond can lead to a TS stabilization that is greater than the intrinsic interaction energy, which has applications in catalyst design and in the study of enzyme mechanisms. 

Abstract The XENONnT detector uses the latest and largest liquid xenon-based time projection chamber (TPC) operated by the XENON Collaboration, aimed at detecting Weakly Interacting Massive Particles and conducting other rare event searches.The XENONnT data acquisition (DAQ) system constitutes an upgraded and expanded version of the XENON1T DAQ system.For its operation, it relies predominantly on commercially available hardware accompanied by open-source and custom-developed software.The three constituent subsystems of the XENONnT detector, the TPC (main detector), muon veto, and the newly introduced neutron veto, are integrated into a single DAQ, and can be operated both independently and as a unified system.In total, the DAQ digitizes the signals of 698 photomultiplier tubes (PMTs), of which 253 from the top PMT array of the TPC are digitized twice, at ×10 and ×0.5 gain.The DAQ for the most part is a triggerless system, reading out and storing every signal that exceeds the digitization thresholds.Custom-developed software is used to process the acquired data, making it available within ∼30 s for live data quality monitoring and online analyses.The entire system with all the three subsystems was successfully commissioned and has been operating continuously, comfortably withstanding readout rates that exceed ∼500 MB/s during calibration.Livetime during normal operation exceeds 99% and is ∼90% during most high-rate calibrations.The combined DAQ system has collected more than 2 PB of both calibration and science data during the commissioning of XENONnT and the first science run. 

Abstract A low-energy electronic recoil calibration of XENON1T, a dual-phase xenon time projection chamber, with an internal $${}^{37}$$ 37 Ar source was performed. This calibration source features a 35-day half-life and provides two mono-energetic lines at 2.82 keV and 0.27 keV. The photon yield and electron yield at 2.82 keV are measured to be ( $$32.3\,\pm \,0.3$$ 32.3 ± 0.3 ) photons/keV and ( $$40.6\,\pm \,0.5$$ 40.6 ± 0.5 ) electrons/keV, respectively, in agreement with other measurements and with NEST predictions. The electron yield at 0.27 keV is also measured and it is ( $$68.0^{+6.3}_{-3.7}$$ 68 . 0 - 3.7 + 6.3 ) electrons/keV. The $${}^{37}$$ 37 Ar calibration confirms that the detector is well-understood in the energy region close to the detection threshold, with the 2.82 keV line reconstructed at ( $$2.83\,\pm \,0.02$$ 2.83 ± 0.02 ) keV, which further validates the model used to interpret the low-energy electronic recoil excess previously reported by XENON1T. The ability to efficiently remove argon with cryogenic distillation after the calibration proves that $${}^{37}$$ 37 Ar can be considered as a regular calibration source for multi-tonne xenon detectors. 

Abstract Understanding propagation of scintillation light is critical for maximizing the discovery potential of next-generation liquid xenon detectors that use dual-phase time projection chamber technology. This work describes a detailed optical simulation of the DARWIN detector implemented using Chroma, a GPU-based photon tracking framework. To evaluate the framework and to explore ways of maximizing efficiency and minimizing the time of light collection, we simulate several variations of the conventional detector design. Results of these selected studies are presented. More generally, we conclude that the approach used in this work allows one to investigate alternative designs faster and in more detail than using conventional Geant4 optical simulations, making it an attractive tool to guide the development of the ultimate liquid xenon observatory. 

Abstract The XENON collaboration has published stringent limits on specific dark matter – nucleon recoil spectra from dark matter recoiling on the liquid xenon detector target. In this paper, we present an approximate likelihood for the XENON1T 1 t-year nuclear recoil search applicable to any nuclear recoil spectrum. Alongside this paper, we publish data and code to compute upper limits using the method we present. The approximate likelihood is constructed in bins of reconstructed energy, profiled along the signal expectation in each bin. This approach can be used to compute an approximate likelihood and therefore most statistical results for any nuclear recoil spectrum. Computing approximate results with this method is approximately three orders of magnitude faster than the likelihood used in the original publications of XENON1T, where limits were set for specific families of recoil spectra. Using this same method, we include toy Monte Carlo simulation-derived binwise likelihoods for the upcoming XENONnT experiment that can similarly be used to assess the sensitivity to arbitrary nuclear recoil signatures in its eventual 20 t-year exposure. 

Abstract The selection of low-radioactive construction materials is of the utmost importance for rare-event searches and thus critical to the XENONnT experiment. Results of an extensive radioassay program are reported, in which material samples have been screened with gamma-ray spectroscopy, mass spectrometry, and $$^{222}$$ 222 Rn emanation measurements. Furthermore, the cleanliness procedures applied to remove or mitigate surface contamination of detector materials are described. Screening results, used as inputs for a XENONnT Monte Carlo simulation, predict a reduction of materials background ( $$\sim $$ ∼ 17%) with respect to its predecessor XENON1T. Through radon emanation measurements, the expected $$^{222}$$ 222 Rn activity concentration in XENONnT is determined to be 4.2 ( $$^{+0.5}_{-0.7}$$ - 0.7 + 0.5 )  $$\upmu $$ μ Bq/kg, a factor three lower with respect to XENON1T. This radon concentration will be further suppressed by means of the novel radon distillation system.