Context. 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. Aims. 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. Methods. 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). Results. 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 K a quantum numbers of 65 and 20, respectively. We assigned mostly a-type transitions for the anti conformer with J and K a 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 wellreproduced 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. Conclusions. Emission features pertaining to the highest excited vibrational states of n-propyl cyanide reported in this work have been identified just barely in our present ALMA data. Features of even higher excited vibrational states may become observable in future, more sensitive ALMA spectra to the extent that the confusion limit will not have been reached. The 13 C isotopomers of this molecule are expected to be near the noise floor of our present ALMA data. We estimate that transitions of vibrationally excited iso-propyl cyanide or aminoacetonitrile, for example, are near the noise floor of our current data as well.
We report the anion photoelectron spectra of deprotonated thymine and cytosine at 3.496 eV photodetachment energy using velocity-mapped imaging. The photoelectron spectra of both species exhibit bands resulting from detachment transitions between the anion ground state and the ground state of the neutral radical. Franck-Condon simulations identify the anion isomers that contribute to the observed photoelectron spectrum. For both thymine and cytosine, the photoelectron spectra are consistent with anions formed by removal of a proton from the N atom that normally attaches to the sugar in the nucleotide (N1). For deprotonated thymine, the photoelectron spectrum shows a band due to a ring breathing vibration excited during the photodetachment transition. The electron affinity for the dehydrogenated thymine radical is determined as 3.250 AE 0.015 eV. For deprotonated cytosine, the photoelectron spectrum lacks any resolved structure and the electron affinity of the dehydrogenated cytosine radical is determined to be 3.037 AE 0.015 eV. By combining the electron affinity with previously measured gas phase acidities of thymine and cytosine, we determine the bond dissociation energy for the N-H bond that is broken.
Anion photoelectron spectra of Ga(2)N(-) were measured at photodetachment wavelengths of 416 nm(2.978 eV), 355 nm(3.493 eV), and 266 nm(4.661 eV). Both field-free time-of-flight and velocity-map imaging methods were used to collect the data. The field-free time-of-flight data provided better resolution of the features, while the velocity-map-imaging data provided more accurate anisotropy parameters for the peaks. Transitions from the ground electronic state of the anion to two electronic states of the neutral were observed and analyzed with the aid of electronic structure calculations and Franck-Condon simulations. The ground-state band was assigned to a transition between linear ground states of Ga(2)N(-)(X (1)Sigma(g) (+)) and Ga(2)N(X (2)Sigma(u) (+)), yielding the electron affinity of Ga(2)N, 2.506+/-0.008 eV. Vibrationally resolved features in the ground-state band were assigned to symmetric and antisymmetric stretch modes of Ga(2)N, with the latter allowed by vibronic coupling to an excited electronic state. The energy of the observed excited neutral state agrees with that calculated for the A (2)Pi(u) state, but the congested nature of this band in the photoelectron spectrum is more consistent with a transition to a bent neutral state.
Aims. The aim of this work is to link the broad λ5450 diffuse interstellar band (DIB) to a laboratory spectrum recorded through expanding acetylene plasma. Methods. Cavity ring-down direct absorption spectra and astronomical observations of HD 183143 with the HERMES spectrograph on the Mercator Telescope on La Palma and the McKellar spectrograph on the DAO 1.2 m Telescope are compared. Results. In the 543-547 nm region a broad band is measured with a band maximum at 545 nm and FWHM of 1.03(0.1) nm coinciding with a well-known diffuse interstellar band at λ5450 with an FWHM of 0.953 nm. Conclusions. A coincidence is found between the laboratory and the two independent observational studies obtained at higher spectral resolution. This result is important, as a match between a laboratory spectrum and a -potentially lifetime broadened -DIB is found. A series of additional experiments were performed in order to unambiguously identify the laboratory carrier of this band, but this was not successful. The laboratory results, however, restrict the carrier to a molecular transient, consisting of carbon and hydrogen.
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