Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons

Open Access. Powered by Scholars. Published by Universities.®

Chemistry

2014

Molecular data

Articles 1 - 3 of 3

Full-Text Articles in Physical Sciences and Mathematics

Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath Nov 2014

Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Observations of carbon-rich circumstellar envelopes were made using the Phoenix spectrograph on the Gemini South telescope to determine the abundance of small carbon chain molecules. Vibration-rotation lines of the ν3 antisymmetric stretch of C3 near 2040 cm-1 (4.902 μm) have been used to determine the column density for four carbon-rich circumstellar envelopes: CRL 865, CRL 1922, CRL 2023 and IRC +10216. We additionally calculate the column density of C5 for IRC +10216, and provide an upper limit for five more objects. An upper limit estimate for the C7 column density is also provided for IRC+10216. A …


Line Lists For The A2Π-X 2Σ+ (Red) And B2Σ+-X 2Σ+ (Violet) Systems Of Cn, 13c14n, And 12c15n, And Application To Astronomicalspectra, Christopher Sneden, Sara Lucatello, Ram S. Ram, James S. A. Brooke, Peter Bernath Oct 2014

Line Lists For The A2Π-X 2Σ+ (Red) And B2Σ+-X 2Σ+ (Violet) Systems Of Cn, 13c14n, And 12c15n, And Application To Astronomicalspectra, Christopher Sneden, Sara Lucatello, Ram S. Ram, James S. A. Brooke, Peter Bernath

Chemistry & Biochemistry Faculty Publications

New red and violet system line lists for the CN isotopologues 13C14N and 12C15N have been generated. These new transition data are combined with those previously derived for 12C14N, and applied to the determination of CNO abundances in the solar photosphere and in four red giant stars: Arcturus, the bright, very low-metallicity star HD 122563, and the carbon-enhanced metal-poor stars HD 196944 and HD 201626. When both red and violet system lines are detectable in a star, their derived N abundances are in good agreement. The mean N abundances determined in …


Exomol Molecular Line Lists V: The Ro-Vibrational Spectra Of Nacl And Kcl, Emma J. Barton, Christopher Chiu, Shirin Golpayegani, Sergei N. Yurchenko, Jonathan Tennyson, Daniel J. Frohman, Peter F. Bernath Jan 2014

Exomol Molecular Line Lists V: The Ro-Vibrational Spectra Of Nacl And Kcl, Emma J. Barton, Christopher Chiu, Shirin Golpayegani, Sergei N. Yurchenko, Jonathan Tennyson, Daniel J. Frohman, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 3000 K). Isotopologues 23Na35Cl, 23Na37Cl, 39K35Cl, 39K37Cl, 41K35Cl and 41K37Cl are considered. Laboratory data were used to refine ab initio potential energy curves in order to compute accurate ro-vibrational energy levels. Einstein A coefficients are generated using newly determined ab initio dipole moment curves calculated using the CCSD(T) method. …