ExoMol line lists III: An improved hot rotation-vibration line list for HCN and HNC

Abstract

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}.

MNRAS, in press

References in corpus (4)

• A chemical model for the atmosphere of hot Jupiters
• ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl
• A H13CN/HN13C linelist, model atmospheres and synthetic spectra for carbon stars
• The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X{}^2{\Sigma }^{+}$ state: a theoretical study

Cited by in corpus (187)

• ExoMol molecular line lists XXX: a complete high-accuracy line list for water
• petitRADTRANS: a Python radiative transfer package for exoplanet characterization and retrieval
• The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K
• Exoplanetary Atmospheres: Key Insights, Challenges and Prospects
• A new set of atmosphere and evolution models for cool T-Y brown dwarfs and giant exoplanets
• Tau-REx I: A next generation retrieval code for exoplanetary atmospheres
• Photochemically-produced SO${}_2$ in the atmosphere of WASP-39b
• ExoMol molecular line lists XXXV: a rotation-vibration line list for hot ammonia
• Model atmospheres of irradiated exoplanets: The influence of stellar parameters, metallicity, and the C/O ratio
• Early Release Science of the exoplanet WASP-39b with JWST NIRISS
• The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• Mass-Metallicity Trends in Transiting Exoplanets from Atmospheric Abundances of H${}_2$O, Na, and K
• Detection of an atmosphere around the super-Earth 55 Cancri e
• Constraining the thermally-pulsing asymptotic giant branch phase with resolved stellar populations in the Small Magellanic Cloud
• H${}_2$O abundances and cloud properties in ten hot giant exoplanets
• A solar C/O and sub-solar metallicity in a hot Jupiter atmosphere
• Five carbon- and nitrogen-bearing species in a hot giant planet's atmosphere
• Constraining the thermally pulsing asymptotic giant branch phase with resolved stellar populations in the Large Magellanic Cloud
• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• Retrieval analysis of 38 WFC3 transmission spectra and resolution of the normalisation degeneracy
• HELIOS-K 2.0 Opacity Calculator and Open-source Opacity Database for Exoplanetary Atmospheres
• A broadband thermal emission spectrum of the ultra-hot Jupiter WASP-18b
• ExoMol molecular line lists -- XXXVII: spectra of acetylene
• The interior and atmosphere of the habitable-zone exoplanet K2-18b
• PICASO 3.0: A One-Dimensional Climate Model for Giant Planets and Brown Dwarfs
• SO2, silicate clouds, but no CH4 detected in a warm Neptune
• A library of ATMO forward model transmission spectra for hot Jupiter exoplanets
• Where is the Water? Jupiter-like C/H ratio but strong H${}_2$O depletion found on $\tau$ Boötis b using SPIRou
• Exploring Biases of Atmospheric Retrievals in Simulated JWST Transmission Spectra of Hot Jupiters
• PLATON II: New Capabilities And A Comprehensive Retrieval on HD 189733b Transit and Eclipse Data
• On the robustness of analysis techniques for molecular detections using high resolution exoplanet spectroscopy
• The Sonora Substellar Atmosphere Models. IV. Elf Owl: Atmospheric Mixing and Chemical Disequilibrium with Varying Metallicity and C/O Ratios
• On degeneracies in retrievals of exoplanetary transmission spectra
• Sulphur dioxide in the mid-infrared transmission spectrum of WASP-39b
• The ARCiS framework for Exoplanet Atmospheres: Modelling Philosophy and Retrieval
• Five key exoplanet questions answered via the analysis of 25 hot Jupiter atmospheres in eclipse
• A warm Neptune's methane reveals core mass and vigorous atmospheric mixing
• Evidence for multiple molecular species in the hot Jupiter HD 209458b
• ExoMol molecular line lists - XIII: The spectrum of CaO
• Awesome SOSS: Transmission Spectroscopy of WASP-96b with NIRISS/SOSS
• The Roasting Marshmallows Program with IGRINS on Gemini South I: Composition and Climate of the Ultra Hot Jupiter WASP-18 b
• The ExoMol project: Software for computing large molecular line lists
• Molecular Cross Sections for High Resolution Spectroscopy of Super Earths, Warm Neptunes and Hot Jupiters
• TRIDENT: A Rapid 3D Radiative Transfer Model for Exoplanet Transmission Spectra
• The ExoMol Atlas of Molecular Opacities
• Aurora: A Generalised Retrieval Framework for Exoplanetary Transmission Spectra
• Marvel analysis of the measured high-resolution rovibrational spectra of H2S
• Near-Infrared Transmission Spectroscopy of HAT-P-18b with NIRISS: Disentangling Planetary and Stellar Features in the Era of JWST
• Carbon monoxide emission lines reveal an inverted atmosphere in the ultra hot Jupiter WASP-33 b consistent with an eastward hot spot
• Ro-vibrational excitation of an organic molecule (HCN) in protoplanetary disks
• ARES V: No Evidence For Molecular Absorption in the HST WFC3 Spectrum of GJ 1132 b
• HyDRA-H: Simultaneous Hybrid Retrieval of Exoplanetary Emission Spectra
• MARVEL analysis of the measured high-resolution rovibronic spectra of ${}^{48}$Ti${}^{16}$O
• Simulating gas giant exoplanet atmospheres with Exo-FMS: Comparing semi-grey, picket fence and correlated-k radiative-transfer schemes
• ExoMol molecular line lists XX: a comprehensive line list for H${}_3^{+}$
• Laboratory spectra of hot molecules: data needs for hot super-Earth exoplanets
• Grid of Pseudo-2D Chemistry Models for Tidally-Locked Exoplanets. I. The Role of Vertical and Horizontal Mixing
• Observability of signatures of transport-induced chemistry in clear atmospheres of hot gas giant exoplanets
• Awesome SOSS: Atmospheric Characterisation of WASP-96 b using the JWST Early Release Observations
• Self-consistent Models of Y Dwarf Atmospheres with Water Clouds and Disequilibrium Chemistry
• 3D radiative-transfer for exoplanet atmospheres. gCMCRT: a GPU accelerated MCRT code
• Volatile-to-sulfur Ratios Can Recover a Gas Giant's Accretion History
• Four-of-a-kind? Comprehensive atmospheric characterisation of the HR 8799 planets with VLTI/GRAVITY
• On Atmospheric Retrievals of Exoplanets with Inhomogeneous Terminators
• On the Temperature Profiles and Emission Spectra of Mini-Neptune Atmospheres
• Hubble Space Telescope transmission spectroscopy for the temperate sub-Neptune TOI-270d: a possible hydrogen-rich atmosphere containing water vapour
• The GAPS Programme at TNG XXXVIII. Five molecules in the atmosphere of the warm giant planet WASP-69b detected at high spectral resolution
• ExoMol molecular line lists XII: Line Lists for 8 isotopologues of CS
• TOI-5205 b: A Short-period Jovian Planet Transiting a Mid-M Dwarf
• The Dawes Review 3: The Atmospheres of Extrasolar Planets and Brown Dwarfs
• Interpreting High-Resolution Spectroscopy of Exoplanets Using Cross-Correlations and Supervised Machine Learning
• Robustness Measures for Molecular Detections using High-Resolution Transmission Spectroscopy of Exoplanets
• Hints of a sulfur-rich atmosphere around the 1.6 R${}_{\oplus }$ Super-Earth L98-59 d from JWST NIRSpec G395H transmission spectroscopy
• CO or no CO? Narrowing the CO abundance constraint and recovering the H2O detection in the atmosphere of WASP-127 b using SPIRou
• Early Insights for Atmospheric Retrievals of Exoplanets using JWST Transit Spectroscopy
• CRIRES+ and ESPRESSO reveal an atmosphere enriched in volatiles relative to refractories on the ultra-hot Jupiter WASP-121b
• Impact of photochemical hazes and gases on exoplanet atmospheric thermal structure
• The GAPS Programme at TNG XXXIX -- Multiple molecular species in the atmosphere of the warm giant planet WASP-80 b unveiled at high resolution with GIANO-B
• Grid of pseudo-2D chemistry models for tidally locked exoplanets -- II. The role of photochemistry
• HST PanCET Program: A Complete Near-UV to Infrared Transmission Spectrum for the Hot Jupiter WASP-79b
• Considerations for Atmospheric Retrieval of High-Precision Brown Dwarf Spectra
• An Algorithm to Compress Line-transition Data for Radiative-transfer Calculations
• The ESO SupJup Survey I: Chemical and isotopic characterisation of the late L-dwarf DENIS J0255-4700 with CRIRES${}^{+}$
• Aluminium oxide in the atmosphere of hot Jupiter WASP-43b
• Aura-3D: A Three-dimensional Atmospheric Retrieval Framework for Exoplanet Transmission Spectra
• KELT-11 b: Abundances of water and constraints on carbon-bearing molecules from the Hubble transmission spectrum
• Assessing Spectra and Thermal Inversions due to TiO in Hot Jupiter Atmospheres
• ExoMol line lists -- XXXVIII. High-temperature molecular line list of silicon dioxide (SiO${}_2$)
• ExoMol molecular line lists: XI The spectrum of nitric acid
• An Unusual Transmission Spectrum for the Sub-Saturn KELT-11b Suggestive of a Sub-Solar Water Abundance
• An exploration of model degeneracies with a unified phase curve retrieval analysis: The light and dark sides of WASP-43 b
• Identifiable Acetylene Features Predicted for Young Earth-like Exoplanets with Reducing Atmospheres undergoing Heavy Bombardment
• Community targets for JWST's early release science program: evaluation of WASP-63b
• Near-IR transmission spectrum of HAT-P-32 b using HST/WFC3
• Ground-Based Transmission Spectroscopy with FORS2: A featureless optical transmission spectrum and detection of H${}_2$O for the ultra-hot Jupiter WASP-103b
• Detection of Na in WASP-21b's lower and upper atmosphere
• Information content of JWST-NIRSPEC transmission spectra of warm Neptunes
• Retrieval of the dayside atmosphere of WASP-43b with CRIRES+
• Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications
• ExoMol line lists -- XLI. High-temperature molecular line lists for the alkali metal hydroxides KOH and NaOH
• The Mantis Network II: Examining the 3D high-resolution observable properties of the UHJs WASP-121b and WASP-189b through GCM modelling
• Clouds form on the hot Saturn JWST ERO target WASP-96b
• Silicate clouds and a circumplanetary disk in the YSES-1 exoplanet system
• Empirical Line Lists in the ExoMol Database
• Observability of silicates in volatile atmospheres of super-Earths and sub-Neptunes
• The Hubble PanCET Program: A Metal-rich Atmosphere for the Inflated Hot Jupiter HAT-P-41b
• A sub-solar metallicity on the ultra-short period planet HIP 65Ab
• Hubble WFC3 Spectroscopy of the Terrestrial Planets L~98-59~c \& d: No Evidence for a Clear Hydrogen Dominated Primary Atmosphere
• BOWIE-ALIGN: JWST reveals hints of planetesimal accretion and complex sulphur chemistry in the atmosphere of the misaligned hot Jupiter WASP-15b
• Analysis of gaseous ammonia (NH${}_3$) absorption in the visible spectrum of Jupiter - Update
• JWST-TST DREAMS: Secondary Atmosphere Constraints for the Habitable Zone Planet TRAPPIST-1 e
• No evidence for radius inflation in hot Jupiters from vertical advection of heat
• Hubble WFC3 Spectroscopy of the Rocky Planet L 98-59 b: No Evidence for a Cloud-Free Primordial Atmosphere
• Evidence for chromium hydride in the atmosphere of Hot Jupiter WASP-31b
• The NewEra model grid
• JWST-TST DREAMS: A Precise Water Abundance for Hot Jupiter WASP-17b from the NIRISS SOSS Transmission Spectrum
• Evidence for SiO cloud nucleation in the rogue planet PSO J318
• Challenges in the detection of gases in exoplanet atmospheres
• Transmission spectroscopy of WASP-52 b with JWST NIRISS: Water and helium atmospheric absorption, alongside prominent star-spot crossings
• The First Mid-Infrared Detection of HNC in the Interstellar Medium: Probing the Extreme Environment Towards the Orion Hot Core
• The mid-infrared molecular inventory towards Orion IRc2
• The THOR+HELIOS general circulation model: multi-wavelength radiative transfer with accurate scattering by clouds/hazes
• Convective shutdown in the atmospheres of lava worlds
• Prebiosignature Molecules Can Be Detected in Temperate Exoplanet Atmospheres with JWST
• Featureless transmission spectra of 12 giant exoplanets observed by GTC/OSIRIS
• Dynamically coupled kinetic chemistry in brown dwarf atmospheres I. Performing global scale kinetic modelling
• Carbon stars with increased oxygen and nitrogen abundances: hydrostatic dust-free model atmospheres
• A formally motivated retrieval framework applied to the high resolution transmission spectrum of HD 189733 b
• Coupled Day-Night Models of Exoplanetary Atmospheres
• The JWST Weather Report: retrieving temperature variations, auroral heating, and static cloud coverage on SIMP-0136
• Constraints on TESS albedos for five hot Jupiters
• PyExoCross: a Python program for generating spectra and cross-sections from molecular line lists
• Terminus: A Versatile Simulator for Space-based Telescopes
• A new spectroscopically-determined potential energy surface and \emph{ab initio} dipole moment surface for high accuracy HCN intensity calculations
• Water observed in the atmosphere of τ Bootis Ab with CARMENES/CAHA
• Magma ocean interactions can explain JWST observations of the sub-Neptune TOI-270 d
• Tracing the formation and migration history: molecular signatures in the atmosphere of misaligned hot Jupiter WASP-94Ab using JWST NIRSpec/G395H
• Why heterogeneous cloud particles matter: Iron-bearing species and cloud particle morphology affects exoplanet transmission spectra
• The compositions of the HR 8799 planets reflect accretion of both solids and metal-enriched gas
• How do we optimally sample model grids of exoplanet spectra?
• Cloud and Haze Parameterization in Atmospheric Retrievals: Insights from Titan's Cassini Data and JWST Observations of Hot Jupiters
• Jupiter-like uniform metal enrichment in a system of multiple giant exoplanets
• IGRINS observations of WASP-127 b: H${}_2$O, CO, and super-Solar atmospheric metallicity in the inflated sub-Saturn
• A precise blue-optical transmission spectrum from the ground: Evidence for haze in the atmosphere of WASP-74b
• Characterising the Atmosphere of 55 Cancri e: 1D Forward Model Grid for Current and Future JWST Observations
• Molecular line shape parameters for exoplanetary atmospheric applications
• Refractory and Volatile Species in the UV-to-IR Transmission Spectrum of Ultra-hot Jupiter WASP-178b with HST and JWST
• The Status of Spectroscopic Data for the Exoplanet Characterisation Missions
• New perspectives on MASCARA-1b: A combined analysis of pre- and post-eclipse emission data using CRIRES+
• The ESO SupJup Survey VIII. Chemical fingerprints of young L dwarf twins
• PICASO 4.0: Clouds and Photochemistry in Climate Models of Brown Dwarfs and Exoplanets
• ATMOSPHERIX: III- Estimating the C/O ratio and molecular dynamics at the limbs of WASP-76 b with SPIRou
• Cloudy mornings and clear evenings on a gas giant exoplanet
• Detecting molecules in Ariel low resolution transmission spectra
• Vibrationally excited HCN transitions in circumstellar envelopes of carbon-rich AGB stars
• Under the magnifying glass: A combined 3D model applied to cloudy warm Saturn type exoplanets around M-dwarfs
• The $\text{MSG}$ model for cloudy substellar atmospheres: A grid of self-consistent substellar atmosphere models with microphysical cloud formation
• HST Transmission Spectra of the Hot-Neptune HD 219666 b: Detection of Water and the Challenge of Constraining Both Water and Methane
• On The Synergy Between Ariel And Ground-Based High-Resolution Spectroscopy
• Exploring the atmosphere of GJ 1132 b with CRIRES+
• Three-component modelling of O-rich AGB star winds I. Effects of drift using forsterite
• Probing Two-dimensional Asymmetries of an Exoplanet Atmosphere from Chromatic Transit Variation
• No TiO detected in the hot Neptune-desert planet LTT-9779 b in reflected light at high spectral resolution
• A grid of self-consistent MSG (MARCS-StaticWeather-GGchem) cool stellar, sub-stellar, and exoplanetary model atmospheres
• Inhomogeneous magnetic coupling in exoplanets: the stop & go of WASP-18 b's atmospheric flows
• A Moderate Albedo from Reflecting Aerosols on the Dayside of WASP-80 b Revealed by JWST/NIRISS Eclipse Spectroscopy
• RAPOC : the Rosseland and Planck opacity converter. A user-friendly and fast opacity program for Python
• Aerosols and hydrocarbons in the atmosphere of a white dwarf planet
• Differentiable Modeling of Planet and Substellar Atmosphere: High-Resolution Emission, Transmission, and Reflection Spectroscopy with ExoJAX2
• Reliability of 1D radiative-convective photochemical-equilibrium retrievals on transit spectra of WASP-107b
• Quantifying thermal water dissociation in the dayside photosphere of WASP-121 b using NIRPS
• Knobs and dials of retrieving JWST transmission spectra. II. Impacts of pipeline-level differences on retrieval posteriors
• HST/WFC3 Constraints on the Abundances of OH and FeH in the Atmosphere of the Ultra-Hot Neptune LTT-9779 b
• Horizontal transport as a source of disequilibrium chemistry on the nightside of a hot exoplanet
• Formation of HNC and HCN isomers in molecular plasmas revealed by frequency comb and quantum cascade laser spectroscopy
• Unraveling the Mystery of the Peculiar and Young Hot Jupiter CoRoT-2b. I. H${}_2$O and CO Detection from Dayside Observations with Gemini-S/IGRINS
• KRONOS I: The $1-2.8\mu$m JWST Transmission Spectrum of the 23 Myr V1298 Tau c
• Methane on the temperate exo-Saturn TOI-199b
• Direct Images of CO2 Absorption in the Atmosphere of a Super-Jupiter: Enhanced Metallicity Suggestive of Formation in a Disk
• Abundant hydrocarbons in a buried galactic nucleus with signs of carbonaceous grain and polycyclic aromatic hydrocarbon processing
• Exploring Synergies between Twinkle and Ariel: a Pilot Study
• A First Look at CRIRES+: Performance Assessment and Exoplanet Spectroscopy
• New submillimetre HCN lasers in carbon-rich evolved stars
• Chemical diversity of the atmospheres and interiors of sub-Neptunes: a case study of GJ 436 b
• TESS unveils the optical phase curve of KELT-1b. Thermal emission and ellipsoidal variation from the brown dwarf companion, and activity from the star
• Information content of JWST transmission spectroscopy of the exoplanet HAT-P-12b from the optical to the mid-infrared