Chirped Pulse Millimeter Wave Spectroscopy Of Complex Molecules

Our chirped pulse millimeter wave spectrometer for complex molecules of astrophysical interest is operational between 75 and 110 GHz, which is coincident with the Atacama Large Millimeter/Submillimeter Array (ALMA) Band 3. High sensitivity and stability is a focus of our research to be able to measure isotopic species of molecules in natural abundance on the one hand and to observe fragments of molecules, which are produced with a high voltage DC discharge in combination with a supersonic jet on the other hand. For the latter application, first tests were performed with methyl cyanide (CH$_{3}$CN). We observed HCN as well as HNC discharge products. As the detector side of our instrument coincides in many aspects with our emission spectrometers [1,2] a comparison of chirped pulse measurements and emission spectroscopy will be discussed briefly. Additionally, we show and discuss current improvements and developments of our chirped pulse instrument. Other candidate molecules are ions or radicals created by the discharge and other means with the aim to record their fingerprint-like rotational spectra.\\ References: [1] N. Wehres, B. Heyne, F. Lewen, M. Hermanns, B. Schmidt, C. Endres, U. U. Graf, D. R. Higgins, and S. Schlemmer, Proceedings of the International Astronomical Union, 13(S332), 332-345. DOI:10.1017/S1743921317007803 [2] N. Wehres, J. Maßen, K. Borisov, B. Schmidt, F. Lewen, U. U. Graf, C. E. Honingh, D. R. Higgins, and S. Schlemmer, Phys. Chem. Chem. Phys. 20, 5530–5544 (2018), DOI:10.1039/C7CP06394

Heterodyne receiver for laboratory spectrosocpy of molecules of astrophysical importance

We present first results of a heterodyne receiver built for high-resolution emission laboratory spectroscopy of molecules of astrophysical interest. The room-temperature receiver operates at frequencies between 80 and 110 GHz, consistent with ALMA band 3. Many molecules have been identified in the interstellar and circumstellar medium at exactly these frequencies by comparing emission spectra obtained from telescopes to high-resolution laboratory absorption spectra. Taking advantage of the recent progresses in the field of mm/submm technology in the astronomy community, we have built a room-temperature emission spectrometer making use of heterodyne receiver technology at an instantaneous bandwidth of currently 2.5~GHz. The system performance, in particular the noise temperature and systematic errors, is presented. The proof-of-concept is demonstrated by comparing the emission spectrum of methyl cyanide to respective absorption spectra and to the literature. Future prospects as well as limitations of the new laboratory receiver for the spectroscopy of complex organic molecules or transient species in discharges will be discussed

COMPLEX MOLECULES IN THE LABORATORY - A COMPARISON OF CHRIPED PULSE AND EMISSION SPECTROSCOPY

Detecting molecules of astrophysical interest in the interstellar medium strongly relies on precise spectroscopic data from the laboratory. In recent years, the advancement of the chirped-pulse technique has added many more options available to choose from. The Cologne emission spectrometer is an additional path to molecular spectroscopy. It allows to record instantaneously broad band spectra _x000d_ with calibrated intensities._x000d_ Here we present a comparison of both methods: The Cologne chirped-pulse spectrometer as well as the Cologne emission spectrometer both cover the frequency range of 75-110 GHz, consistent with the ALMA Band 3 receivers. High sensitive heterodyne receivers with very low noise temperature amplifiers are used with a typical bandwidth of 2.5 GHz in a single sideband. Additionally the chirped-pulse spectrometer contains a high power amplifier of 200 mW for the excitation of molecules._x000d_ Room temperature spectra of methyl cyanide and comparison of key features, such as measurement time, sensitivity, limitations and commonalities are shown in respect to identification of complex molecules of astrophysical importance. In addition, future developments for both setups will be discussed

Rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C_4H_9CN) between 2 and 400 GHz

We present high-resolution rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C_4H_9CN). Spectra were taken between 2 and 24 GHz by means of Fourier transform microwave spectroscopy. Spectra between 36 and 403 GHz were recorded by means of frequency modulated (FM) absorption spectroscopy. The analysis yields precise rotational constants and higher order distortion constants, as well as a set of ^(14)N nuclear electric quadrupole coupling parameters for each of the two conformers. In addition, quantum chemical calculations were performed in order to assist the assignments. Frequency calculations yield insight into the vibrational energy structure of the two conformers, from which partition functions and vibrational correction factors are determined. These factors are used to determine experimentally and computationally the energy difference between the two conformers, which is revealed to be negligible. Overall, this study provides precise spectroscopic constants for the search of 3-methylbutyronitrile in the interstellar medium. In particular, this molecule is a perfect test case for our knowledge of branched molecule formation in space

Rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C_4H_9CN) between 2 and 400 GHz

We present high-resolution rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C_4H_9CN). Spectra were taken between 2 and 24 GHz by means of Fourier transform microwave spectroscopy. Spectra between 36 and 403 GHz were recorded by means of frequency modulated (FM) absorption spectroscopy. The analysis yields precise rotational constants and higher order distortion constants, as well as a set of ^(14)N nuclear electric quadrupole coupling parameters for each of the two conformers. In addition, quantum chemical calculations were performed in order to assist the assignments. Frequency calculations yield insight into the vibrational energy structure of the two conformers, from which partition functions and vibrational correction factors are determined. These factors are used to determine experimentally and computationally the energy difference between the two conformers, which is revealed to be negligible. Overall, this study provides precise spectroscopic constants for the search of 3-methylbutyronitrile in the interstellar medium. In particular, this molecule is a perfect test case for our knowledge of branched molecule formation in space

Clinical and virological characteristics of hospitalised COVID-19 patients in a German tertiary care centre during the first wave of the SARS-CoV-2 pandemic: a prospective observational study

Purpose: Adequate patient allocation is pivotal for optimal resource management in strained healthcare systems, and requires detailed knowledge of clinical and virological disease trajectories. The purpose of this work was to identify risk factors associated with need for invasive mechanical ventilation (IMV), to analyse viral kinetics in patients with and without IMV and to provide a comprehensive description of clinical course. Methods: A cohort of 168 hospitalised adult COVID-19 patients enrolled in a prospective observational study at a large European tertiary care centre was analysed. Results: Forty-four per cent (71/161) of patients required invasive mechanical ventilation (IMV). Shorter duration of symptoms before admission (aOR 1.22 per day less, 95% CI 1.10-1.37, p < 0.01) and history of hypertension (aOR 5.55, 95% CI 2.00-16.82, p < 0.01) were associated with need for IMV. Patients on IMV had higher maximal concentrations, slower decline rates, and longer shedding of SARS-CoV-2 than non-IMV patients (33 days, IQR 26-46.75, vs 18 days, IQR 16-46.75, respectively, p < 0.01). Median duration of hospitalisation was 9 days (IQR 6-15.5) for non-IMV and 49.5 days (IQR 36.8-82.5) for IMV patients. Conclusions: Our results indicate a short duration of symptoms before admission as a risk factor for severe disease that merits further investigation and different viral load kinetics in severely affected patients. Median duration of hospitalisation of IMV patients was longer than described for acute respiratory distress syndrome unrelated to COVID-19

The CMS Phase-1 pixel detector upgrade

The CMS detector at the CERN LHC features a silicon pixel detector as its innermost subdetector. The original CMS pixel detector has been replaced with an upgraded pixel system (CMS Phase-1 pixel detector) in the extended year-end technical stop of the LHC in 2016/2017. The upgraded CMS pixel detector is designed to cope with the higher instantaneous luminosities that have been achieved by the LHC after the upgrades to the accelerator during the first long shutdown in 2013–2014. Compared to the original pixel detector, the upgraded detector has a better tracking performance and lower mass with four barrel layers and three endcap disks on each side to provide hit coverage up to an absolute value of pseudorapidity of 2.5. This paper describes the design and construction of the CMS Phase-1 pixel detector as well as its performance from commissioning to early operation in collision data-taking.Peer reviewe

LABORATORY HETERODYNE SPECTROMETERS OPERATING AT 100 AND 300 GHZ

Two new laboratory heterodyne emission spectrometers are presented that are currently used for high-resolution rotational spectroscopy of complex organic molecules._x000d_ The room temperature heterodyne receiver operating between 80-110 GHz, as well as the SIS heterodyne receiver operating between 270-370 GHz allow access to two very important frequency regimes, coinciding with Bands 3 and 7 of the ALMA (Atacama Large Millimeter Array) telescope. Taking advantage of recent progresses in the field of mm/submm technology, we build these two spectrometers using an XFFFTS (eXtended Fast Fourier Transform Spectrometer) for spectral acquisition. The instantaneous bandwidth is 2.5 GHz in a single sideband, spread over 32768 channels. Thus, the spectral resolution is about 76 kHz per channel and thus comparable to high resolution spectra from telescopes. Both receivers are operated in double sideband mode resulting in a total instantaneous bandwidth of 5 GHz._x000d_ The system performances, in particular the noise temperatures and stabilities are presented. Proof-of-concept is demonstrated by showing spectra of methyl cyanide obtained with both spectrometers. While the transition frequencies for this molecule are very well known, intensities of those transitions can also be determined with high accuracy using our new instruments. This additional information shall be exploited in future measurements to improve spectral predictions for astronomical observations. Other future prospects concern the study of more complex organic species, such as ethyl cyanide. These aspects of the new instruments as well as limitations of the two distinct receivers will be discussed