MoLLIST (Molecular Line Lists, Intensities and Spectra)

MoLLIST: Molecular Line Lists, Intensities and Spectra (2020)

This page provides access to the molecular line lists for a number of molecules along with the associated publication list. We invite you to access the MoLLISTs by clicking on the molecule name. 

AlCl

• Mahdi Yousefi, Peter Bernath. Line Lists for AlF and AlCl in the X1Line Lists for AlF and AlCl in the X1Σ+ Ground State. Astrophysical Journal Supplement Series 237, 8-15 (2018).

AlF

• Mahdi Yousefi, Peter Bernath. Line Lists for AlF and AlCl in the X1Line Lists for AlF and AlCl in the X1Σ+ Ground State. Astrophysical Journal Supplement Series 237, 8-15 (2018).

C(CH₃)₄

• P. F. Bernath, E. L. Sibert III and M. Dulick. Neopentane Vibrations: High Resolution Spectra and Anharmonic Calculations. Journal of Physical Chemistry A 124, 3438-3444 (2020).
• P. Bernath, R. Dodangodage, M. Dulick, J. Zhao and B. Billinghurst. Absorption cross sections for neopentane broadened by nitrogen in the 3.3 micron region. Journal of Quantitative Spectroscopy & Radiative Transfer 251, 107034 (2020).
• Peter Bernath, Edwin L. Sibert III, Keith LaBelle, Jianbao Zhao, Brant Billinghurst. Absorption cross sections and local mode analysis for neopentane. Journal of Quantitative Spectroscopy & Radiative Transfer 293, 108390 (2022).

C₂

• J. S. A. Brooke, P. F. Bernath, T. W. Schmidt and G. B. Bacskay. Line strengths and updated molecular constants for the C2 Swan system. J. Quant. Spectrosc. Rad. Trans. 124, 11-20 (2013).
• R. S. Ram, J. S. A. Brooke, P. F. Bernath, C. Sneden, S. Lucatello. Improved Line Data for the Swan System ¹²C¹³C Isotopologue. Astrophys. J. Suppl. 211, 5 (2014).
• A. Tanabashi, T. Hirao, T. Amano, P.F. Bernath. The Swan System of C2: A Global Analysis of Fourier Transform Emission Spectra. Astrophys. J. Suppl. 169, 472-484 (2007).
• W. Chen, K. Kawaguchi, P.F. Bernath, J. Tang. Study of infrared emission spectroscopy for the B¹Δ_g - A¹Π_u and B'¹Σ_g⁺ - A¹Π_u systems of C₂. J. Chem. Phys. 144, 064301 (2016).
• W. Chen, K. Kawaguchi, P.F. Bernath, J. Tang. Simultaneous analysis of the Ballik-Ramsay and Phillips systems of C₂ and observation of forbidden transitions between singlet and triplet states. J. Chem. Phys. 142, 064317 (2015).

C₂H₆

• J.J. Harrison, N.D.C. Allen and P.F. Bernath. Infrared absorption cross sections for ethane (C₂H₆) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 111, 357-363 (2010).
• Robert J. Hargreaves, Eric Buzan, Michael Dulick, Peter F. Bernath. High-resolution absorption cross sections of C2H6 at elevated temperatures. Mol. Astrophys. 1, 20-25 (2015).
• Dan Hewett, Peter Bernath, Jianbao Zhao, Brant Billinghurst. Near infrared absorption cross sections for ethane broadened by hydrogen and nitrogen. Journal of Quantitative Spectroscopy & Radiative Transfer 242, 106780 (2019).
• R. Dodangodage, P. F. Bernath, J. Zhao and B. Billinghurst. Absorption cross sections for ethane broadened by hydrogen and helium in the 3.3 micron region. Journal of Quantitative Spectroscopy & Radiative Transfer 253, 107131 (2020).

C₃H₆

• E. M. Buzan, R. J. Hargreaves, P. F. Bernath. High resolution absorption cross sections propylene in the 3 μm region at high temperatures. Molecular Astrophysics 3, 16-20 (2016).
• Randika Dodangodage, Peter F. Bernath, Jianbao Zhao, Brant Billinghurst. Absorption cross sections in the CH stretching region for propene broadened by helium and nitrogen. 271, 107738 (2021).
• Peter F. Bernath; Randika Dodangodage; Jianbao Zhao; Brant Billinghurst. Infrared absorption cross sections for propene broadened by N2 (450–1250 cm−1 ) and by H2 (2680–3220 cm−1 ). Journal of Quantitative Spectroscopy & Radiative Transfer 296, 108462 (2022).

C₃H₆O

• J. J. Harrison, N. D. C. Allen and P. F. Bernath. Infrared absorption cross sections for acetone (propanone) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 53-58 (2011).
• J. J. Harrison, N. Humpage, N. D. C. Allen, A. M. Waterfall, P. F. Bernath and J. J. Remedios. Mid-wavelength infrared absorption cross sections for acetone (propanone). J. Quant. Spectrosc. Rad. Trans. 112, 457-464 (2011).

C₃H₈

• J.J. Harrison and Peter F. Bernath. Infrared absorption cross sections for propane (C₃H₈) in the 3μm region. Journal of Quantitative Spectroscopy and Radiative Transfer 111, 1282-1288 (2009).
• C. A. Beale, R. J. Hargreaves, P. F. Bernath. Temperature-dependent high resolution absorption cross sections of propane. J. Quant. Spectrosc. Rad. Transfer 182, 219-224 (2016).
• Wong, R. J. Hargreaves, B. Billinghurst, P. F. Bernath. Infrared absorption cross sections of propane broadened by hydrogen. J. Quant. Spectrosc. Rad. Transfer 198, 141-144 (2017).
• Wong, B. Billinghurst, P. F. Bernath. Helium broadened propane absorption cross sections in the far-IR. Molecular Astrophysics 8, 36-39 (2017).
• A. Wong, P. Bernath and D. Appadoo. IR absorption cross sections of propane broadened by H2 and He between 150-210 K. J. Quant. Spectrosc. Rad. Transfer 218, 68-71 (2018).
• A. Wong, D. Hewett, B. E. Billinghurst, J. N. Hodges and P. F. Bernath. He and H2 broadened propane cross sections in the 3 µm region at cold temperatures. J. Quant. Spectrosc. Rad. Transfer 232, 104-107 (2019).

CH

• T. Masseron, B. Plez, S. Van Eck, R. Colin, I. Daoutidis, M. Godefroid, P.-F. Coheur, P. Bernath, A. Jorissen, and N. Christlieb. CH in stellar atmospheres: an extensive linelist. Astron. Astrophys. 571, A47 (2014).

CH₃CHO

• K. A. Tereszchuk and P. F. Bernath. Infrared absorption cross-sections for acetaldehyde (CH₃CHO) in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 990-993 (2011).

CH₃CN

• N. D. C. Allen, J. J. Harrison and P. F. Bernath. Acetonitrile (CH₃CN) infrared absorption cross sections in the 3 μm region. J. Quant. Spectrosc. Rad. Trans. 112, 1961-1966 (2011).
• J. J. Harrison and P. F. Bernath. Mid- and long-wave infrared absorption cross sections for acetonitrile. J. Quant. Spectrosc. Rad. Trans. 113, 221-225 (2012).

CH₃OH

• J. J. Harrison, N. D. C. Allen and P. F. Bernath. Infrared absorption cross sections for methanol. J. Quant. Spectrosc. Rad. Trans. 113, 2189-2196 (2012).

CH₄

• R. Nassar and P. Bernath. Hot Methane Spectra for Astrophysical Applications. J. Quant. Spectrosc. Radiat. Trans. 82, 279-292 (2003).
• R. Hargreaves, C. A. Beale, L. Michaux, M. Irfan and P. F. Bernath. Hot Methane Line Lists for Exoplanet and Brown Dwarf Atmospheres. Astrophys. J. 757, 46 (10pp) (2012).
• R.J. Hargreaves, P.F. Bernath, J. Bailey, M. Dulick. Empirical Line Lists and Absorption Cross Sections for Methane at High Temperatures. Astrophys. J. 813, 12 (2015).
• Mahdi Yousefi, Peter F Bernath, Mike Dulick, Manfred Birk, Georg Wagner. Line parameters for hot methane ?3 band broadened by H 2 from 296 to 1100 K. Journal of Quantitative Spectroscopy & Radiative Transfer 263, 107557 (2021).

CN

• J. S. A. Brooke, R. S. Ram, C. M. Western, G. Li, D. W. Schwenke, P. F. Bernath. Einstein A Coefficients and Oscillator Strengths for the A²Π-X²Σ⁺ (red) and B²Σ⁺-X²Σ⁺ (violet) Systems and Rovibrational Transitions in the X²Σ⁺ state of CN. Astrophys. J. Suppl. 210, 23 (2014).
• C. Sneden, S. Lucatello, R. S. Ram, J. S. A. Brooke, P. Bernath. Line lists for the A²Π-X²Σ⁺ (red) and B²Σ⁺-X²Σ⁺ (violet) Systems of CN, ¹³CN, and C¹⁵N, and Application to Astronomical Spectra. Astrophys. J. Suppl. 214, 26 (2014).

CP

• R. S. Ram, J. S. A. Brooke, C.M. Western and P. F. Bernath. Einstein A-values and oscillator strengths of the A²Π-X²Σ⁺ system of CP. J. Quant. Spectrosc. Rad. Trans. 138, 107-115 (2014).

CaF

• S. Hou, P. F. Bernath. Line list for the ground state of CaF. J. Quant. Spectrosc. Rad. Transfer 210, 44-51 (2018).

CaH

• G. Li, J. J. Harrison, R. S. Ram, C. M. Western and P. F. Bernath. Einstein A coefficients and absolute line intensities for the E²Π-X²Σ⁺ transition of CaH. J. Quant. Spectrosc. Rad. Trans. 113, 67-74 (2012).
• A. Shayesteh, R.S. Ram, P.F. Bernath. Fourier transform emission spectra of the A²Π→ X²Σ⁺→ and B²Σ⁺ →X²Σ⁺ band systems of CaH. J. Mol. Spectrosc. 288, 46-51 (2013).

CrH

• A. Burrows, R.S. Ram, P. Bernath, C.M. Sharp and J.A. Milsom. New CrH Opacities for the Study of L and Brown Dwarf Atmospheres. Astrophys. J. 577, 986-992 (2002).

FeH

• M. Dulick, C.W. Bauschlicher, Jr., A. Burrows, C.M. Sharp, R.S. Sharp, R.S. Ram and P.F. Bernath. Line Intensities and Molecular Opacities of the FeH F⁴\(\Delta_i\) - X⁴\(\Delta_i\) Transition. Astrophys. J. 594, 651-663 (2003).
• R. J. Hargreaves, K. H. Hinkle, C. W. Bauschlicher, S. Wende, A. Seifahrt and P. F. Bernath. High-Resolution 1.6 μm Spectra of FeH in M and L Dwarfs. Astron. J. 140, 919-924 (2010).
• S. Wende, A. Reiners, A. Seifahrt and P. F. Bernath. CRIRES spectroscopy and empirical line-by-line identification of FeH molecular absorption in an M dwarf. Astron. Astrophys. 523, A58 (2010).

HC(CH₃)₃

• D. Hewett, P. F. Bernath and B. Billinghurst. Infrared absorption cross sections of isobutane with hydrogen and nitrogen as broadening gases. J. Quant. Spectrosc. Rad. Transfer 227, 226-229 (2019).
• P. F. Bernath, D. Bittner and E. L. Sibert III. Infrared Bands: Partial Rotational Assignments, Ab Initio Calculations and Local Mode Analysis. Journal of Physical Chemistry A 123, 6185-6193 (2020).
• D. Hewett, P. F. Bernath, A. Wong, B. E. Billinghurst, J. Zhao, N. A. Lombardo, C. A. Nixon and D. E. Jennings. N2 and H2 broadened isobutane infrared absorption cross sections and butane upper limits on Titan. Icarus 344, 113460 (2019).
• P. Bernath, A. M. Fernando. Infrared absorption cross sections for hot isobutane in the CH stretching region. Journal of Quantitative Spectroscopy & Radiative Transfer 269, 107644 (2021).

KCl

• E. J. Barton, C. Chui, S. Golpayegani, S. N. Yurchenko, J. Tennyson, D. J. Frohman, P. F. Bernath. ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl. Mon. Not. R. Astro. Soc. 442, 1821-1829 (2014).

KF

• D.J. Frohman, P.F. Bernath, J.S.A. Brooke. Molecular line lists: The ro-vibrational spectra of NaF and KF. J. Quant. Spectrosc. Rad. Trans. 169, 104-110 (2016).

LaO

• P. F. Bernath; R. Dodangodage; and J. Liévin . S-type Stars: Line List for the A 2Π–X 2Σ+ Band System of LaO. The Astrophysical Journal 953, 181 (2023).
• P. F. Bernath; R. Dodangodage; and J. Liévin . S-type Stars: LaO Line List for the B 2Σ+–X 2Σ+ Band System. The Astrophysical Journal 933, 99 (2022).

LiCl

• D. M. Bittner, P. F. Bernath. Line Lists for LiF and LiCl in the X1Σ+ Ground State. Astrophys. J. Suppl.235, 8-13 (2018).

LiF

• D. M. Bittner, P. F. Bernath. Line Lists for LiF and LiCl in the X1Σ+ Ground State. Astrophys. J. Suppl.235, 8-13 (2018).

MgD

• R.D.E. Henderson, A. Shayesteh, J. Tao, C.C. Haugen, P.F. Bernath, R.J. Le Roy. Accurate Analytic Potential and Born-Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis. J. Phys. Chem. A 117, 13373-13387 (2013).

MgF

• S. Hou, P.F. Bernath. Line list for the MgF ground state. J. Quant. Spectrosc. Rad. Transfer 203, 511-516 (2017).

MgH

• E. GharibNezhad, A. Shayesteh, P. F. Bernath. Einstein A Coefficients for Rovibronic Lines of the A²Π→X²Σ⁺ and B'²Σ⁺→X²Σ⁺ transitions of MgH. Mon. Notices R. Astro. Soc. 432, 2043-2047 (2013).
• R.D.E. Henderson, A. Shayesteh, J. Tao, C.C. Haugen, P.F. Bernath, R.J. Le Roy. Accurate Analytic Potential and Born-Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis. J. Phys. Chem. A 117, 13373-13387 (2013).
• K.H. Hinkle, L. Wallace, R.S. Ram, P.F. Bernath, C. Sneden, S. Lucatello. The Magnesium Isotopologues of MgH in the A²Π-X²Π⁺ System. Astrophys. J. Suppl. 207, 7pp (2013).

NH

• J. S. A. Brooke, P. F. Bernath, C. M. Western. Note: Improved line strengths of rovibrational and rotational transitions within the X³Σ^- ground state of NH. J. Chem. Phys. 143, 026101 (2015).
• J.S.A. Brooke, P.F. Bernath, C.M. Western, M.C. van Hemert, G.C. Groenenboom. Line strengths of rovibrational and rotational transitions within the X³Σ^- ground state of NH. J. Phys. Chem. 141, 054310 (2014).
• A. Fernando, P. F. Bernath, J. Hodges and T. Masseron. A new line list for the A3Π-X3Σ- transition of the NH free radical. J. Quant. Spectrosc. Rad. Transfer 217, 29-34 (2018).

NH₃

• R. J. Hargreaves, G. Li and P. F. Bernath. Hot NH₃ for Astrophysical Applications. Astrophys. J. 735, 111 (11 pp) (2011).
• R. J. Hargreaves, G. Li and P. F. Bernath. Ammonia line lists from 1650 to 4000 cm^-1. J. Quant. Spectrosc. Rad. Trans. 113, 670-679 (2012).
• Christopher A. Beale, Robert J. Hargreaves, Phillip Coles, Jonathan Tennyson, Peter F. Bernath. Infrared absorption spectra of hot ammonia. Journal of Quantitative Spectroscopy & Radiative Transfer 203, 410-416 (2018). Errata.
• N. F. Zobov, P. A. Coles, R. I. Ovsyannikov, A. A. Kyuberis, R. J. Hargreaves, P. F. Bernath, J. Tennyson, S. N. Yurchenko and O. L. Polyansky. Analysis of the red and green optical absorption spectrum of gas phase ammonia. J. Quant. Spectrosc. Rad. Transfer 209, 224-231 (2018).
• Christopher A. Beale, Andy Wong, Peter Bernath. Infrared transmission spectra of hot ammonia in the 4800-9000 cm^-1 region. Journal of Quantitative Spectroscopy & Radiative Transfer 246, 106911 (2020).

NaCl

• E. J. Barton, C. Chui, S. Golpayegani, S. N. Yurchenko, J. Tennyson, D. J. Frohman, P. F. Bernath. ExoMol molecular line lists V: The ro-vibrational spectra of NaCl and KCl. Mon. Not. R. Astro. Soc. 442, 1821-1829 (2014).

NaF

• D.J. Frohman, P.F. Bernath, J.S.A. Brooke. Molecular line lists: The ro-vibrational spectra of NaF and KF. J. Quant. Spectrosc. Rad. Trans. 169, 104-110 (2016).

OH

• J. S. A. Brooke, P. F. Bernath, C. M. Western, C. Sneden, M. Afşar, G. Li and I. E. Gordon. Line Strengths of Rovibrational and Rotational Transitions in the X2Π Ground State of OH. Journal of Quantitative Spectroscopy & Radiative Transfer 168, 142-157 (2016).
• M. Yousefi, P. F. Bernath, J. Hodges and T. Masseron. A new line list for A2Σ+-X2Π electronic transition of OH. J. Quant. Spectrosc. Rad. Transfer 217, 416-424 (2018).

OH⁺

• J. N. Hodges, P. F. Bernath. Fourier transform spectroscopy of the A3Π-X3Σ- transition of OH⁺. Astrophys. J. 840, 81-88 (2017).
• J. N. Hodges, D. M. Bittner, P. F. Bernath. Improved Ultraviolet and Infrared Oscillator strengths for OH+. Astrophys. J. 855, 21-25 (2018).

SO

• Peter Bernath, Dror Bittner. Line List for the \(a^1\Delta-X^3\Sigma^-\) transition of SO: Assignment of the 1.69 micro feature on Io. Journal of Quantitative Spectroscopy & Radiative Transfer 240, 106686 (2019).
• P. Bernath, R. Johnson, J. Lievin. Line lists for the b1Σ+-X3Σ− and a1Δ-X3Σ− transitions of SO. Journal of Quantitative Spectroscopy & Radiative Transfer 272, 107772 (2021).
• Peter F. Bernath; Ryan M. Johnson b; Jacques Liévin. Line lists for \(X^3\Sigma^-\) and \(a^1\Delta\) vibration-rotation bands of SO. Journal of Quantitative Spectroscopy & Radiative Transfer 290, 108317 (2022).

TiH

• A. Burrows, M. Dulick, C.W. Bauschlicher, Jr., P.F. Bernath, R.S. Ram, C.M. Sharp and J.A. Milsom. Spectroscopic Constants, Abundances and Opacities of the TiH Molecule. Astrophys. J 624, 988-1002 (2005).

TiO

• D. M. Bittner and P. F. Bernath. Spectroscopic constants and line positions for TiO singlet states. Astrophys. J. Sup. 236, 46(5pp) (2018).
• J. N. Hodges and P. F. Bernath. Fourier transform spectroscopy of the C3Δ- X3Δ transition of TiO in support of exoplanet spectroscopy. Astrophys. J. 863, 34(4pp) (2018).
• P. F. Bernath. Measured Optical Absorption Cross Sections of TiO. The Astrophysical Journal 895, 87 (2020).
• P. Bernath, W. Cameron. Near-infrared Opacity of Late M Dwarfs and Hot Jupiters: The E3Π–X3Δ Transition of TiO. The Astrophysical Journal 904, 24 (2020).
• W. Doug Cameron, Peter Bernath. Visible Opacity of M Dwarfs and Hot Jupiters: The TiO \(B^3\Pi-X^3\Delta\) Band System. The Astrophysical Journal 926, 39 (2022).
• P. Bernath; D. Cameron. Line lists for TiO minor isotopologues for the A³Φ-X³Δ electronic transition. Journal of Quantitative Spectroscopy & Radiative Transfer 310, 108745 (2023).

ZrO

• Jason J. Sorensen, Peter F. Bernath. Near-infrared and Visible Opacities of S-type Stars: The \(B^1\Pi-X^1\Sigma^+\) Band System of ZrO. The Astrophysical Journal 923, 234 (2021).

ACE Atlas

• R. Hughes, P. Bernath and C. Boone. ACE Infrared Spectral Atlases of the Earth's Atmosphere. J. Quant. Spectrosc. Rad. Trans. 148, 18-21 (2014).

Solar Atlas

• F. Hase, Lloyd Wallace, Sean D. McLeod, Jeremy J. Harrison, Peter F. Bernath. The ACE-FTS atlas of the infrared solar spectrum. Journal of Quantitative Spectroscopy and Radiative Transfer 111, 521-528 (2010).