Nadine Wehres

Laboratory spectroscopic study and astronomical detection of vibrationally excited n-propyl cyanide

We performed a spectral line survey called Exploring Molecular Complexity with ALMA (EMoCA) toward Sagittarius~B2(N) between 84.1 and 114.4 GHz with the Atacama Large Millimeter/submillimeter Array (ALMA) in its Cycles 0 and 1. We determined line intensities of n-propyl cyanide in the ground vibrational states of its gauche and anti conformers toward the hot molecular core Sagittarius B2(N2) which suggest that we should also be able to detect transitions pertaining to excited vibrational states. We wanted to determine spectroscopic parameters of low-lying vibrational states of both conformers of n-propyl cyanide to search for them in our ALMA data. We recorded laboratory rotational spectra of n-propyl cyanide in two spectral windows between 36 and 127 GHz. We searched for emission lines produced by these states in the ALMA spectrum of Sagittarius B2(N2). We modeled their emission and the emission of the ground vibrational states assuming local thermodynamic equilibrium (LTE). We have made extensive assignments of a- and b-type transitions of the four lowest vibrational states of the gauche conformer which reach J and Ka quantum numbers of 65 and 20, respectively. We assigned mostly a-type transitions for the anti conformer with J and Ka quantum numbers up to 48 and 24, respectively. Rotational and Fermi perturbations between two anti states allowed us to determine their energy difference. The resulting spectroscopic parameters enabled us to identify transitions of all four vibrational states of each conformer in our ALMA data. The emission features of all states, including the ground vibrational state, are well-reproduced with the same LTE modeling parameters, which gives us confidence in the reliability of the identifications, even for the states with only one clearly detected line.

Rotational Spectroscopy of the Lowest Energy Conformer of 2-Cyanobutane

Isopropyl cyanide was recently detected in space as the first branched alkyl compound. Its abundance with respect to n-propyl cyanide in the Galactic center source Sagittarius B2(N2) is about 0.4. Astrochemical model calculations suggest that for the heavier homologue butyl cyanide the branched isomers dominate over the unbranched n-butyl cyanide and that 2-cyanobutane is the most abundant isomer. We have studied the rotational spectrum of 2-cyanobutane between 2 and 24 GHz using Fourier transform microwave spectroscopy and between 36 and 402 GHz employing (sub)millimeter absorption spectroscopy. Transitions of the lowest energy conformer were identified easily. Its rotational spectrum is very rich, and the quantum numbers J and Ka reach values of 111 and 73, respectively. This wealth of data yielded rotational and centrifugal distortion parameters up to tenth order, diagonal and one off-diagonal 14N nuclear quadrupole coupling parameters, and one nuclear spin-rotation coupling parameter. We have also carried out quantum chemical calculations in part to facilitate the assignments. The molecule 2-cyanobutane was not found in the present ALMA data of Sagittarius B2(N2), but it may be found in the more sensitive data that have been completed very recently in the ALMA Cycle 4.

Rotational spectroscopy of the two conformers of 3-methylbutyronitrile (C4H9CN) 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.

Medium-resolution échelle spectroscopy of the Red Square Nebula, MWC 922

Context. Medium-resolution echelle spectra of the Red Square Nebula surrounding the star MWC 922 are presented. The spectra have been obtained in 2010 and 2012 using the X-shooter spectrograph mounted on the Very Large Telescope (VLT) in Paranal, Chile. The spectrum covers a wavelength range between 300 nm−2.5 μ m and shows that the nebula is rich in emission lines. Aims. We aim to identify the emission lines and use them as a tool to determine the physical and chemical characteristics of the nebula. The emission lines are also used to put constraints on the structure of the nebula and on the nature of the central stars.Methods. We analyzed and identified emission lines that indicated that the Red Square Nebula consists of a low density bipolar outflow, eminent in the broad emission component seen in [Fe ii], as well as in P Cygni line profiles indicative of fast outflowing material. The narrow component in the [Fe ii] lines is most likely formed in the photosphere of a surrounding disk. Some of the emission lines show a pronounced double peaked profile, such as Ca ii, indicating an accretion disk in Keplerian rotation around the central star. [O i] emission lines are formed in the neutral atomic zone separating the ionized disk photosphere from the molecular gas in the interior of the disk, which is prominent in molecular CO emission in the near-IR. [N ii] and [S ii] emission clearly originates in a low density but fairly hot (7 000−10 000 K) nebular environment. H i recombination lines trace the extended nebula as well as the photosphere of the disk.Results. These findings put constraints on the evolution of the central objects in MWC 922. The Red Square shows strong similarities to the Red Rectangle Nebula, both in morphology and in its mid-IR spectroscopic characteristics. As for the Red Rectangle, the observed morphology of the nebula reflects mass-loss in a binary system. Specifically, we attribute the biconical morphology and the associated rung-like structure to the action of intermittent jets blown by the accreting companion in a dense shell, which has been created by the primary. We stress, though, that despite the morphological similarities, these two objects represent very different classes of stellar objects.