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Register a new userH$_2$/HD molecular data for analysis of quasar spectra in search of varying constants
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W. Ubachs
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Absorption lines of H$_2$ and HD molecules observed at high redshift in the line of sight towards quasars are a test ground to search for variation of the proton-to-electron mass ratio $mu$. For this purpose, results from astronomical observations are compared with a compilation of molecular data of the highest accuracy, obtained in laboratory studies as well as in first-principles calculations. Aims: A comprehensive line list is compiled for H$_2$ and HD absorption lines in the Lyman ($B^1Sigma_u^+$ - $X^1Sigma_g^+$) and Werner ($C^1Pi_u$ - $X^1Sigma_g^+$) band systems up to the Lyman cutoff at 912 Angstroms. Molecular parameters listed for each line $i$ are the transition wavelength $lambda_i$, the line oscillator strength $f_i$, the radiative damping parameter of the excited state $Gamma_i$, and the sensitivity coefficient $K_i$ for a variation of the proton-to-electron mass ratio. Methods: The transition wavelengths $lambda_i$ for the H$_2$ and HD molecules are determined by a variety of advanced high-precision spectroscopic experiments involving narrowband vacuum ultraviolet lasers, Fourier-transform spectrometers, and synchrotron radiation sources. Results for the line oscillator strengths $f_i$, damping parameters $Gamma_i$, and sensitivity coefficients $K_i$ are obtained in theoretical quantum chemical calculations. Results: A new list of molecular data is compiled for future analyses of cold clouds of hydrogen absorbers, specifically for studies of $mu$-variation from quasar data. The list is applied in a refit of quasar absorption spectra of B0642$-$5038 and J1237$+$0647 yielding constraints on a variation of the proton-to-electron mass ratio $Deltamu/mu$ consistent with previous analyses.
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We introduce a new stacking method in Keplerian disks that (1) enhances signal-to-noise ratios (S/N) of detected molecular lines and (2) that makes visible otherwise undetectable weak lines. Our technique takes advantage of the Keplerian rotational velocity pattern. It aligns spectra according to their different centroid velocities at their different positions in a disk and stacks them. After aligning, the signals are accumulated in a narrower velocity range as compared to the original line width without alignment. Moreover, originally correlated noise becomes de-correlated. Stacked and aligned spectra, thus, have a higher S/N. We apply our method to ALMA archival data of DCN (3-2), DCO+ (3-2), N2D+ (3-2), and H2CO (3_0,3-2_0,2), (3_2,2-2_2,1), and (3_2,1-2_2,0) in the protoplanetary disk around HD 163296. As a result, (1) the S/N of the originally detected DCN (3-2), DCO+ (3-2), and H2CO (3_0,3-2_0,2) and N2D+ (3-2) lines are boosted by a factor of >4-5 at their spectral peaks, implying one order of magnitude shorter integration times to reach the original S/N; and (2) the previously undetectable spectra of the H2CO (3_2,2-2_2,1) and (3_2,1-2_2,0) lines are materialized at more than 3 sigma. These dramatically enhanced S/N allow us to measure intensity distributions in all lines with high significance. The principle of our method can not only be applied to Keplerian disks but also to any systems with ordered kinematic patterns.
The status of searches for possible variation in the constants of nature from astronomical observation of molecules is reviewed, focusing on the dimensionless constant representing the proton-electron mass ratio $mu=m_p/m_e$. The optical detection of H$_2$ and CO molecules with large ground-based telescopes (as the ESO-VLT and the Keck telescopes), as well as the detection of H$_2$ with the Cosmic Origins Spectrograph aboard the Hubble Space Telescope is discussed in the context of varying constants, and in connection to different theoretical scenarios. Radio astronomy provides an alternative search strategy bearing the advantage that molecules as NH$_3$ (ammonia) and CH$_3$OH (methanol) can be used, which are much more sensitive to a varying $mu$ than diatomic molecules. Current constraints are $|Deltamu/mu| < 5 times 10^{-6}$ for redshift $z=2.0-4.2$, corresponding to look-back times of 10-12.5 Gyrs, and $|Deltamu/mu| < 1.5 times 10^{-7}$ for $z=0.88$, corresponding to half the age of the Universe (both at 3$sigma$ statistical significance). Existing bottlenecks and prospects for future improvement with novel instrumentation are discussed.
{CircumStellar Envelopes (CSEs) of stars are complex chemical objects for which theoretical models encounter difficulties in elaborating a comprehensive overview of the occurring chemical processes. Along with photodissociation, ion-neutral reactions and dissociative recombination might play an important role in controlling molecular growth in outer CSEs. The aim of this work is to provide experimental insights into pathways of photochemistry-driven molecular growth within outer CSEs to draw a more complete picture of the chemical processes occurring within these molecule-rich environments. A simplified CSE environment was therefore reproduced in the laboratory through gas-phase experiments exposing relevant gas mixtures to an Extreme UltraViolet (EUV) photon source. This photochemical reactor should ultimately allow us to investigate chemical processes and their resulting products occurring under conditions akin to outer CSEs. We used a recently developed EUV lamp coupled to the APSIS photochemical cell to irradiate CSE relevant gas mixtures of H$_2$, CO and N$_2$, at one wavelength, 73.6 nm. The detection and identification of chemical species in the photochemical reactor was achieved through in-situ mass spectrometry analysis of neutral and cationic molecules. We find that exposing CO-N$_2$-H$_2$ gas mixtures to EUV photons at 73.6 nm induces photochemical reactions that yield the formation of complex, neutral and ionic species. Our work shows that N$_2$H$^+$ can be formed through photochemistry along with highly oxygenated ion molecules like HCO$^+$ in CSE environments. We also observe neutral N-rich organic species including triazole and aromatic molecules. These results confirm the suitability of our experimental setting to investigate photochemical reactions and provide fundamental insights into the mechanisms of molecular growth in the outer CSEs.
Context. Studying gas chemistry in protoplanetary disks is key to understanding the process of planet formation. Sulfur chemistry in particular is poorly understood in interstellar environments, and the location of the main reservoirs remains unknown. Protoplanetary disks in Taurus are ideal targets for studying the evolution of the composition of planet forming systems. Aims. We aim to elucidate the chemical origin of sulfur-bearing molecular emission in protoplanetary disks, with a special focus on H$_2$S emission, and to identify candidate species that could become the main molecular sulfur reservoirs in protoplanetary systems. Methods. We used IRAM 30m observations of nine gas-rich young stellar objects (YSOs) in Taurus to perform a survey of sulfur-bearing and oxygen-bearing molecular species. In this paper we present our results for the CS 3-2 ($ u_0$ = 146.969 GHz), H$_2$CO 2$_{11}$-1$_{10}$ ($ u_0$ = 150.498 GHz), and H$_2$S 1$_{10}$-1$_{01}$ ($ u_0$ = 168,763 GHz) emission lines. Results. We detected H$_2$S emission in four sources out of the nine observed, significantly increasing the number of detections toward YSOs. We also detected H$_2$CO and CS in six out of the nine. We identify a tentative correlation between H$_2$S 1$_{10}$-1$_{01}$ and H$_2$CO 2$_{11}$-1$_{10}$ as well as a tentative correlation between H$_2$S 1$_{10}$-1$_{01}$ and H$_2$O 8$_{18}$-7$_{07}$. By assuming local thermodynamical equilibrium, we computed column densities for the sources in the sample, with N(o-H$_2$S) values ranging between $2.6times10^{12}$ cm$^{-2}$ and $1.5times10^{13}$ cm$^{-2}$.
Comprehensive line lists for phosphorus monoxide ($^{31}$P$^{16}$O) and phosphorus monosulphide ($^{31}$P$^{32}$S) in their $X$ $^2Pi$ electronic ground state are presented. The line lists are based on new ab initio potential energy (PEC), spin-orbit (SOC) and dipole moment (DMC) curves computed using the MRCI+Q-r method with aug-cc-pwCV5Z and aug-cc-pV5Z basis sets. The nuclear motion equations (i.e. the rovibronic Schrodinger equations for each molecule) are solved using the program Duo. The PECs and SOCs are refined in least-squares fits to available experimental data. Partition functions, $Q(T)$, are computed up to $T=$ 5000 K, the range of validity of the line lists. These line lists are the most comprehensive available for either molecule. The characteristically sharp peak of the $Q$-branches from the spin-orbit split components give useful diagnostics for both PO and PS in spectra at infrared wavelengths. These line lists should prove useful for analysing observations and setting up models of environments such as brown dwarfs, low-mass stars, O-rich circumstellar regions and potentially for exoplanetary retrievals. Since PS is yet to be detected in space, the role of the two lowest excited electronic states ($a$ $^4Pi$ and $B$ $^2Pi$) are also considered. An approximate line list for the PS $X - B$ electronic transition, which predicts a number of sharp vibrational bands in the near ultraviolet, is also presented. he line lists are available from the CDS (cdsarc.u-strasbg.fr) and ExoMol (www.exomol.com) databases.
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