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Register a new userImproved HCN/HNC linelist, model atmospheres and synthetic spectra for WZ Cas
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Added by
Gregory John Harris
Publication date
2005
fields
Physics
and research's language is
English
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We build an accurate database of 5200 HCN and HNC rotation-vibration energy levels, determined from existing laboratory data. 20~000 energy levels in the Harris et al. (2002) linelist are assigned approximate quantum numbers. These assignments, lab determined energy levels and Harris et al (2002) energy levels are incorporated in to a new energy level list. A new linelist is presented, in which frequencies are computed using the lab determined energy levels where available, and the ab initio energy levels otherwise. The new linelist is then used to compute new model atmospheres and synthetic spectra for the carbon star WZ Cas. This results in better fit to the spectrum of WZ Cas in which the absorption feature at 3.56 micron is reproduced to a higher degree of accuracy than has previously been possible. We improve the reproduction of HCN absorption features by reducing the abundance of Si to [Si/H] = --0.5 dex, however, the strengths of the $Delta v=2$ CS band heads are over-predicted.
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A line list of vibration-rotation transitions for 13C substituted HCN is presented. The line list is constructed using known experimental levels where available, calculated levels and ab initio line intensities originally calculated for the major isotopologue. Synthetic spectra are generated and compared with observations for cool carbon star WZ Cas. It is suggested that high resolution HCN spectra recorded near 14 micron should be particularly sensitive to the 13C to 12C ratio.
A revised rotation-vibration line list for the combined hydrogen cyanide (HCN) / hydrogen isocyanide (HNC) system is presented. The line list uses {it ab initio} transition intensities calculated previously (Harris et al., ApJ, 2002, 578, 657) and extensive datasets of recently measured experimental energy levels (Mellau, J. Chem. Phys. and J. Mol. Spectrosc. 2010-2011). The resulting line list has significantly more accurate wavelengths than previous ones for these systems. An improved value for the separation between HCN and HNC is adopted leading to an approximately 25% lower predicted thermal population of HNC as a function of temperature in the key 2000 to 3000 K region. Temperature-dependent partition functions and equilibrium constants are presented. The line lists are validated by comparison with laboratory spectra and are presented in full as supplementary data to the article and at url{www.exomol.com}.
Bright HNC 1--0 emission has been found towards several Seyfert galaxies. This is unexpected since traditionally HNC is a tracer of cold (10 K) gas, and the molecular gas of luminous galaxies like Seyferts is thought to have bulk kinetic temperatures surpassing 50 K. In this work we aim to distinguish the cause of the bright HNC and to model the physical conditions of the HNC and HCN emitting gas. We have used SEST, JCMT and IRAM 30m telescopes to observe HNC 3-2 and HCN 3-2 line emission in a selection of 5 HNC-luminous Seyfert galaxies. We estimate and discuss the excitation conditions of HCN and HNC in NGC 1068, NGC 3079, NGC 2623 and NGC 7469, based on the observed 3-2/1-0 line intensity ratios. We also observed CN 1-0 and 2-1 emission and discuss its role in photon and X-ray dominated regions. HNC 3-2 was detected in 3 galaxies (NGC 3079, NGC 1068 and NGC 2623). HCN 3-2 was detected in NGC 3079, NGC 1068 and NGC 1365. The HCN 3-2/1-0 ratio is lower than 0.3 only in NGC 3079, whereas the HNC 3-2/1-0 ratio is larger than 0.3 only in NGC 2623. The HCN/HNC 1-0 and 3-2 line ratios are larger than unity in all the galaxies. The HCN/HNC 3-2 line ratio is lower than unity only in NGC 2623, similar to Arp 220, Mrk 231 and NGC 4418. In three of the galaxies the HNC emissions emerge from gas of densities n<10^5 cm^3, where the chemistry is dominated by ion-neutral reactions. In NGC 1068 the emission of HNC emerges from lower (<10^5 cm^3) density gas than HCN (>10^5 cm^3). Instead, the emissions of HNC and HCN emerge from the same gas in NGC 3079. The observed HCN/HNC and CN/HCN line ratios favor a PDR scenario, rather than an XDR one. However, the N(HNC)/N(HCN) column density ratios obtained for NGC 3079 can be found only in XDR environments.
We present tests carried out on optical and infrared stellar spectra to evaluate the accuracy of different types of interpolation. Both model atmospheres and continuum normalized fluxes were interpolated. In the first case we used linear interpolation, and in the second linear, cubic spline, cubic-Bezier and quadratic-Bezier methods. We generated 400 ATLAS9 model atmospheres with random values of the atmospheric parameters for these tests, spanning between -2.5 and +0.5 in [Fe/H], from 4500 to 6250 K in effective temperature, and 1.5 to 4.5 dex in surface gravity. Synthesized spectra were created from these model atmospheres, and compared with spectra derived by interpolation. We found that the most accurate interpolation algorithm among those considered in flux space is cubic-Bezier, closely followed by quadratic-Bezier and cubic splines. Linear interpolation of model atmospheres results in errors about a factor of two larger than linear interpolation of fluxes, and about a factor of four larger than high order flux interpolations.
HNC and HCN, typically used as dense gas tracers in molecular clouds, are a pair of isomers that have great potential as a temperature probe because of temperature dependent, isomer-specific formation and destruction pathways. Previous observations of the HNC/HCN abundance ratio show that the ratio decreases with increasing temperature, something that standard astrochemical models cannot reproduce. We have undertaken a detailed parameter study on which environmental characteristics and chemical reactions affect the HNC/HCN ratio and can thus contribute to the observed dependence. Using existing gas and gas-grain models updated with new reactions and reaction barriers, we find that in static models the H + HNC gas-phase reaction regulates the HNC/HCN ratio under all conditions, except for very early times. We quantitively constrain the combinations of H abundance and H + HNC reaction barrier that can explain the observed HNC/HCN temperature dependence and discuss the implications in light of new quantum chemical calculations. In warm-up models, gas-grain chemistry contributes significantly to the predicted HNC/HCN ratio and understanding the dynamics of star formation is therefore key to model the HNC/HCN system.
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