ExoMol Molecular linelists -- XXXIII. The spectrum of Titanium Oxide

Abstract

Accurate line lists are crucial for correctly modelling a variety of astrophysical phenomena, including stellar photospheres and the atmospheres of extra-solar planets. This paper presents a new line database Toto for the main isotopologues of titanium oxide (TiO): ${}^{46}$Ti${}^{16}$O, ${}^{47}$Ti${}^{16}$O, ${}^{48}$Ti${}^{16}$O, ${}^{49}$Ti${}^{16}$O and ${}^{50}$Ti${}^{16}$O. The TiO line list contains transitions with wave-numbers up to 30,000 cm${}^{-1}$ ie long-wards of 0.33 $\mu$m. The Toto line list includes all dipole-allowed transitions between 13 low-lying electronic states (X ${}^3\Delta$, a ${}^1\Delta$, d ${}^1{\Sigma }^{+}$, E ${}^3\Pi$, A ${}^3\Phi$ B ${}^3\Pi$, C ${}^3\Delta$, b ${}^1\Pi$, c ${}^1\Phi$, f ${}^1\Delta$, e ${}^1{\Sigma }^{+}$). Ab initio potential energy curves (PECs) are computed at the icMRCI level and combined with spin-orbit and other coupling curves. These PECs and couplings are iteratively refined to match known empirical energy levels. Accurate line intensities are generated using ab initio dipole moment curves. The Toto line lists are appropriate for temperatures below 5000 K and contain 30 million transitions for TiO; it is made available in electronic form via the CDS data centre and via www.exomol.com. Tests of the line lists show greatly improved agreement with observed spectra for objects such as M-dwarfs GJ876 and GL581.

References in corpus (36)

• A new extensive library of PHOENIX stellar atmospheres and synthetic spectra
• The orbital motion, absolute mass, and high-altitude winds of exoplanet HD209458b
• A Unified Theory for the Atmospheres of the Hot and Very Hot Jupiters: Two Classes of Irradiated Atmospheres
• Atmospheric circulation of hot Jupiters: Coupled radiative-dynamical general circulation model simulations of HD 189733b and HD 209458b
• The ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• Line and Mean Opacities for Ultracool Dwarfs and Extrasolar Planets
• ExoMol: molecular line lists for exoplanet and other atmospheres
• Model Atmospheres for M (Sub)Dwarfs: I. The base model grid
• Can TiO Explain Thermal Inversions in the Upper Atmospheres of Irradiated Giant Planets?
• Transmission Spectra of Three-Dimensional Hot Jupiter Model Atmospheres
• ExoMol line lists XVIII. The high temperature spectrum of VO
• Duo: a general program for calculating spectra of diatomic molecules
• ExoCross: a general program for generating spectra from molecular line lists
• Detection of titanium oxide in the atmosphere of a hot Jupiter
• High-Resolution Spectroscopic Detection of TiO and Stratosphere in the Day-side of WASP-33b
• The temperatures of Red Supergiants
• TiO and VO broad band absorption features in the optical spectrum of the atmosphere of the hot-Jupiter HD209458b
• The M Dwarf GJ 436 and its Neptune-Mass Planet
• GENESIS: New Self-Consistent Models of Exoplanetary Spectra
• High accuracy CO${}_2$ line intensities determined from theory and experiment
• A search for TiO in the optical high-resolution transmission spectrum of HD 209458b: Hindrance due to inaccuracies in the line database
• Spherically symmetric model atmospheres for low mass pre-Main Sequence stars with effective temperatures between 2000 and 6800 K
• ExoMol molecular line lists XIX: high accuracy computed hot line lists for H${}_2$${}^{18}$O and H${}_2$${}^{17}$O
• Periodic photometric variability of the brown dwarf Kelu-1
• The {\it ab initio} calculation of spectra of open shell diatomic molecules
• The First L-type Brown Dwarf in the Pleiades
• MARVEL analysis of the measured high-resolution rovibronic spectra of ${}^{48}$Ti${}^{16}$O
• The calculated rovibronic spectrum of scandium hydride, ScH
• 2MASS J06164006-6407194: The First Outer Halo L Subdwarf
• Time resolved spectroscopy of the variable brown dwarf Kelu-1
• A high resolution spectral atlas of brown dwarfs
• Hybrid variation-perturbation method for calculating rovibrational energy levels of polyatomic molecules
• Predicted Landé $g$-factors for open shell diatomic molecules
• Ab initio calculations to support accurate modelling of the rovibronic spectroscopy calculations of vanadium monoxide (VO)
• Optical TiO and VO band emission in two embedded protostars: IRAS 04369+2539 and IRAS 05451+0037
• Mass-independent analysis of the stable isotopologues of gas-phase titanium monoxide -- TiO

Cited by in corpus (161)

• A new set of atmosphere and evolution models for cool T-Y brown dwarfs and giant exoplanets
• The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres
• The ExoMolOP Database: Cross-sections and k-tables for Molecules of Interest in High-Temperature Exoplanet Atmospheres
• Hot Exoplanet Atmospheres Resolved with Transit Spectroscopy (HEARTS) IV. A spectral inventory of atoms and molecules in the high-resolution transmission spectrum of WASP-121 b
• 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
• PICASO 3.0: A One-Dimensional Climate Model for Giant Planets and Brown Dwarfs
• Where is the Water? Jupiter-like C/H ratio but strong H${}_2$O depletion found on $\tau$ Boötis b using SPIRou
• Titanium oxide and chemical inhomogeneity in the atmosphere of the exoplanet WASP-189b
• The hot dayside and asymmetric transit of WASP-189b seen by CHEOPS
• ESPRESSO high resolution transmission spectroscopy of WASP-76b
• PLATON II: New Capabilities And A Comprehensive Retrieval on HD 189733b Transit and Eclipse Data
• The Sonora Substellar Atmosphere Models. IV. Elf Owl: Atmospheric Mixing and Chemical Disequilibrium with Varying Metallicity and C/O Ratios
• 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
• Vanadium oxide and a sharp onset of cold-trapping on a giant exoplanet
• Searching for Thermal Inversion Agents in the Transmission Spectrum of MASCARA-2b/KELT-20b: Detection of Neutral Iron and Ionised Calcium H$\&$K Lines
• Non-detection of TiO and VO in the atmosphere of WASP-121b using high-resolution spectroscopy
• ARES I: WASP-76 b, A Tale of Two HST Spectra
• The atmosphere of HD 209458b seen with ESPRESSO. No detectable planetary absorptions at high resolution
• TRIDENT: A Rapid 3D Radiative Transfer Model for Exoplanet Transmission Spectra
• Detection of Fe and evidence for TiO in the dayside emission spectrum of WASP-33b
• Exploring the atmospheric dynamics of the extreme ultra-hot Jupiter KELT-9b using TESS photometry
• Retrieval survey of metals in six ultra-hot Jupiters: Trends in chemistry, rain-out, ionisation and atmospheric dynamics
• EXOPLINES: Molecular Absorption Cross-Section Database for Brown Dwarf and Giant Exoplanet Atmospheres
• No umbrella needed: Confronting the hypothesis of iron rain on WASP-76b with post-processed general circulation models
• The Pyrat Bay Framework for Exoplanet Atmospheric Modeling: A Population Study of Hubble/WFC3 Transmission Spectra
• Analytic, dust-independent mass-loss rates for red supergiant winds initiated by turbulent pressure
• Simulating gas giant exoplanet atmospheres with Exo-FMS: Comparing semi-grey, picket fence and correlated-k radiative-transfer schemes
• Self-consistent Models of Y Dwarf Atmospheres with Water Clouds and Disequilibrium Chemistry
• Observability of Evaporating Lava Worlds
• 3D radiative-transfer for exoplanet atmospheres. gCMCRT: a GPU accelerated MCRT code
• A comparison of chemical models of exoplanet atmospheres enabled by TauREx 3.1
• New Candidate Extreme T Subdwarfs from the Backyard Worlds: Planet 9 Citizen Science Project
• Four-of-a-kind? Comprehensive atmospheric characterisation of the HR 8799 planets with VLTI/GRAVITY
• ARES III: Unveiling the Two Faces of KELT-7 b with HST WFC3
• A Spectral Survey of WASP-19b with ESPRESSO
• ExoMol molecular line lists XXXVI: $X{}^2\Pi -X{}^2\Pi$ and $A{}^2{\Sigma }^{+}-X{}^2\Pi$ transitions of SH
• Hints of a sulfur-rich atmosphere around the 1.6 R${}_{\oplus }$ Super-Earth L98-59 d from JWST NIRSpec G395H transmission spectroscopy
• Confirmation of Iron Emission Lines and Non-detection of TiO on the Dayside of KELT-9b with MAROON-X
• Time-resolved transmission spectroscopy of the ultra-hot Jupiter WASP-189 b
• An update to the MARVEL dataset and ExoMol line list for 12C2
• A blue depression in the optical spectra of M dwarfs
• The Hubble WFC3 Emission Spectrum of the Extremely-Hot Jupiter, KELT-9b
• Mining the Ultra-Hot Skies of HAT-P-70b: Detection of a Profusion of Neutral and Ionized Species
• CRIRES+ and ESPRESSO reveal an atmosphere enriched in volatiles relative to refractories on the ultra-hot Jupiter WASP-121b
• Accreting protoplanets: Spectral signatures and magnitude of gas and dust extinction at H alpha
• HST PanCET Program: A Complete Near-UV to Infrared Transmission Spectrum for the Hot Jupiter WASP-79b
• A high-resolution line list for AlO
• Exoplanet atmosphere retrievals in 3D using phase curve data with ARCiS: application to WASP-43b
• An improved rovibrational linelist of formaldehyde, \spec{h212c16o}
• Aluminium oxide in the atmosphere of hot Jupiter WASP-43b
• Is TiO emission present in the ultra-hot Jupiter WASP-33b? A reassessment using the improved ExoMol Toto line list
• Elemental Abundances of M Dwarfs Based on High-Resolution Near-Infrared Spectra: Verification by Binary Systems
• 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
• Retrieval study of cool, directly imaged exoplanet 51 Eri b
• Is the atmosphere of the ultra-hot Jupiter WASP-121b variable?
• An Unusual Transmission Spectrum for the Sub-Saturn KELT-11b Suggestive of a Sub-Solar Water Abundance
• Search for TiO and Optical Night-side Emission from the Exoplanet WASP-33b
• The PEPSI Exoplanet Transit Survey (PETS). II. A Deep Search for Thermal Inversion Agents in KELT-20 b/MASCARA-2 b with Emission and Transmission Spectroscopy
• MARVEL analysis of the measured high-resolution spectra of ${}^{14}$NH
• Spectroscopy of YO from first principles
• H- and Dissociation in Ultra-hot Jupiters: A Retrieval Case Study of WASP-18b
• Low-Temperature Gas Opacities with AESOPUS 2.0
• The PHOENIX Exoplanet Retrieval Algorithm and Using H${}^{-}$ Opacity as a Probe in Ultra-hot Jupiters
• Unifying High- and Low-resolution Observations to Constrain the Dayside Atmosphere of KELT-20b/MASCARA-2b
• Experimental energy levels of 12C14N through MARVEL analysis
• Transmission spectroscopy of MASCARA-1b with ESPRESSO: Challenges of overlapping orbital and Doppler tracks
• Data availability and requirements relevant for the Ariel space mission and other exoplanet atmosphere applications
• The Mantis Network II: Examining the 3D high-resolution observable properties of the UHJs WASP-121b and WASP-189b through GCM modelling
• The obliquity and atmosphere of the ultra-hot Jupiter TOI-1431b (MASCARA-5b): A misaligned orbit and no signs of atomic ormolecular absorptions
• Silicate clouds and a circumplanetary disk in the YSES-1 exoplanet system
• Clouds form on the hot Saturn JWST ERO target WASP-96b
• A quantitative assessment of the VO line list: Inaccuracies hamper high-resolution VO detections in exoplanet atmospheres
• An atlas of resolved spectral features in the transmission spectrum of WASP-189 b with MAROON-X
• Observability of silicates in volatile atmospheres of super-Earths and sub-Neptunes
• Investigating the detectability of hydrocarbons in exoplanet atmospheres with JWST
• Hubble WFC3 Spectroscopy of the Terrestrial Planets L~98-59~c \& d: No Evidence for a Clear Hydrogen Dominated Primary Atmosphere
• Rotational spectra of vibrationally excited AlO and TiO in oxygen rich stars
• A retrieval challenge exercise for the Ariel mission
• On spectroscopic phase-curve retrievals: H2 dissociation and thermal inversion in the atmosphere of the ultra-hot Jupiter WASP-103 b
• Hubble WFC3 Spectroscopy of the Rocky Planet L 98-59 b: No Evidence for a Cloud-Free Primordial Atmosphere
• No evidence for radius inflation in hot Jupiters from vertical advection of heat
• Evidence for chromium hydride in the atmosphere of Hot Jupiter WASP-31b
• Transmission spectroscopy of the lowest-density gas giant: metals and a potential extended outflow in HAT-P-67b
• JWST-TST DREAMS: A Precise Water Abundance for Hot Jupiter WASP-17b from the NIRISS SOSS Transmission Spectrum
• The NewEra model grid
• The Mantis Network I: A standard grid of templates and masks for cross-correlation analyses of ultra-hot Jupiter transmission spectra
• GSP-spec line list for the parametrisation of Gaia -RVS stellar spectra
• Evidence for SiO cloud nucleation in the rogue planet PSO J318
• Neutral metals in the atmosphere of HD149026b
• Characterisation of 92 Southern TESS Candidate Planet Hosts and a New Photometric [Fe/H] Relation for Cool Dwarfs
• Dynamics and Clouds in Planetary Atmospheres from Telescopic Observations
• A method for the variational calculation of hyperfine-resolved rovibronic spectra of diatomic molecules
• AlH lines in the blue spectrum of Proxima Centauri
• Analysis of the TiO isotopologues in stellar optical spectra
• Observational predictions for Thorne-Żytkow objects
• 3D Stagger model atmospheres with FreeEOS I. Exploring the impact of microphysics on the Sun
• Measuring Tracers of Planet Formation in the Atmosphere of WASP-77A b: Sub-stellar O/H and C/H ratios, with a stellar C/O ratio and a potentially Super-stellar Ti/H ratio
• The Rotationally Resolved Infrared Spectrum of TiO and Its Isotopologues
• The transmission spectrum of WASP-17 b from the optical to the near-infrared wavelengths: combining STIS, WFC3 and IRAC datasets
• Rovibronic spectroscopy of PN from first principles
• High-resolution Emission Spectroscopy of the Ultrahot Jupiter KELT-9b: Little Variation in Day- and Nightside Emission Line Contrasts
• Featureless transmission spectra of 12 giant exoplanets observed by GTC/OSIRIS
• Time Resolved Absorption of Six Chemical Species With MAROON-X Points to Strong Drag in the Ultra Hot Jupiter TOI-1518 b
• Titanium chemistry of WASP-121 b with ESPRESSO in 4-UT mode
• Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for ZrO
• Coupled Day-Night Models of Exoplanetary Atmospheres
• A full configuration interaction quantum Monte Carlo study of ScO, TiO and VO molecules
• Constraints on TESS albedos for five hot Jupiters
• MARVEL analysis of the measured high-resolution rovibronic spectra of the calcium monohydroxide radical (CaOH)
• Why heterogeneous cloud particles matter: Iron-bearing species and cloud particle morphology affects exoplanet transmission spectra
• Molecular diatomic spectroscopy data
• Detection of faculae in the transit and transmission spectrum of WASP-69b
• Multi-epoch detections of the extended atmosphere and transmission spectra of KELT-9b with a 1.5 m telescope
• Diatomic rovibronic transitions as potential probes for proton-to-electron mass ratio across cosmological time
• A precise blue-optical transmission spectrum from the ground: Evidence for haze in the atmosphere of WASP-74b
• On the Effect of Stellar Activity on Low-resolution Transit Spectroscopy and the Use of High Resolution as Mitigation
• Cool and Data-Driven: An Exploration of Optical Cool Dwarf Chemistry with Both Data-Driven and Physical Models
• Refractory and Volatile Species in the UV-to-IR Transmission Spectrum of Ultra-hot Jupiter WASP-178b with HST and JWST
• Characterising the Atmosphere of 55 Cancri e: 1D Forward Model Grid for Current and Future JWST Observations
• Thermal Emission from the hot Jupiter WASP-103b in J and Ks Bands
• Characterization of M dwarfs Using Optical Mid-Resolution Spectra for Exploration of Small Exoplanets
• A Population Analysis of 20 Exoplanets Observed from the Optical to the Near-infrared Wavelengths with HST: Evidence for Widespread Stellar Contamination
• PICASO 4.0: Clouds and Photochemistry in Climate Models of Brown Dwarfs and Exoplanets
• MAGIS (Measuring Abundances of red super Giants with Infrared Spectroscopy) project I. Establishment of an abundance analysis procedure for red supergiants and its evaluation with nearby stars
• Measuring titanium isotope ratios in exoplanet atmospheres
• Dark skies of the slightly eccentric WASP-18 b from its optical-to-infrared dayside emission
• Hydride ion continuum hides absorption signatures in the NIRPS near-infrared transmission spectrum of the ultra-hot gas giant WASP-189b
• Correlations between laboratory line lists for FeH, CrH, and NiH and M-star spectra collected with ESPaDOnS and SPIRou
• Conditions for radiative zones in the molecular hydrogen envelope of Jupiter and Saturn: The role of alkali metals
• UBVRI photometry of Betelgeuse over 23 years since 1999
• Horizontal and vertical exoplanet thermal structure from a JWST spectroscopic eclipse map
• Under the magnifying glass: A combined 3D model applied to cloudy warm Saturn type exoplanets around M-dwarfs
• ExoMolHR: A Relational Database of Empirical High-Resolution Molecular Spectra
• The $\text{MSG}$ model for cloudy substellar atmospheres: A grid of self-consistent substellar atmosphere models with microphysical cloud formation
• An empirical spectroscopic model for eleven electronic states of VO
• Three-component modelling of O-rich AGB star winds I. Effects of drift using forsterite
• Hunt for Starspots in HARPS Spectra of G and K Stars
• 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
• Evidence for an Atmosphere on the Ultra-Short Period super-Earth HD 3167 b
• Radiative Flux from a High-Resolution Atmospheric Dynamics Simulation of a Hot-Jupiter for JWST and Ariel
• The dark days are overcast: Iron-bearing clouds on HD 209458 b and WASP-43 b can explain low dayside albedos
• On the lithium abundance of the visual binary components $\xi$ Boo A (G8V) and $\xi$ Boo B (K5V)
• 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
• HST/WFC3 Constraints on the Abundances of OH and FeH in the Atmosphere of the Ultra-Hot Neptune LTT-9779 b
• A Large-scale Approach to Modelling Molecular Biosignatures: The Diatomics
• A First Look at CRIRES+: Performance Assessment and Exoplanet Spectroscopy
• A new look into the atmospheric composition of WASP-39 b
• Thermal emission spectra of the ultra-hot Jupiter WASP-33 b
• Direct Images of CO2 Absorption in the Atmosphere of a Super-Jupiter: Enhanced Metallicity Suggestive of Formation in a Disk
• The breaking of cold traps and onset of titanium in ultra-hot Jupiter atmospheres: WASP-189b in context
• Sensitivity of Dry Lava Planet Atmospheric Emission Spectra to Changes in Lava Compositions
• The HUSTLE Program: The UV to Near-IR Transmission Spectrum of the Hot Jupiter KELT-7b
• TESS unveils the optical phase curve of KELT-1b. Thermal emission and ellipsoidal variation from the brown dwarf companion, and activity from the star
• A Cloudy Fit to the Atmosphere of WASP-107 b
• Next-generation Exo-REM atmospheric models: application to VHS 1256 b to emulate patchy clouds