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Full-Text Articles in Physical Sciences and Mathematics
Fourier Transform Spectroscopy Of The C³Δ-X³Δ Transition Of Tio In Support Of Exoplanet Spectroscopy, James N. Hodges, Peter Bernath
Fourier Transform Spectroscopy Of The C³Δ-X³Δ Transition Of Tio In Support Of Exoplanet Spectroscopy, James N. Hodges, Peter Bernath
Chemistry & Biochemistry Faculty Publications
Recent limitations in the TiO line list used in cross-correlation detection schemes have made the detection and quantification of TiO in exoplanetary atmospheres challenging. The quality of the line list appears to degrade at wavelengths shorter than 630 nm. The C3Δ-X3Δ electronic transition has strong rovibronic bands near 500 nm. In an effort to improve the line list, a spectrum of TiO in a furnace at 1950 K is analyzed, and the assigned lines of the C3Δ-X3Δ transition are fit with the N2 Hamiltonian in the molecular spectrum fitting software, PGOPHER …
Collisional Quenching Of Highly Excited H2 Due To H2 Collisions, Yier Wan, B. H. Yang, P. C. Stancil, Balakrishnan Naduvalath, Nikhil J. Parekh, R. C. Forrey
Collisional Quenching Of Highly Excited H2 Due To H2 Collisions, Yier Wan, B. H. Yang, P. C. Stancil, Balakrishnan Naduvalath, Nikhil J. Parekh, R. C. Forrey
Chemistry and Biochemistry Faculty Research
Rate coefficients for pure rotational quenching in H2(ν 1 = 0, j 1) + H2(ν 2 = 0, j 2) collisions from initial levels of j 1 = 2–31 (j 2 = 0 or 1) to all lower rotational levels are presented. We carried out extensive quantum mechanical close-coupling calculations based on a recently published H2–H2 potential energy surface (PES) developed by Patkowski et al. that has been demonstrated to be more reliable than previous work. Rotational transition cross sections with initial levels of j 1 = 2–14, 18, 19, 24, and 25 were computed for energies ranging from 10−6 …
Improved Ultraviolet And Infrared Oscillator Strengths For Oh+, James N. Hodges, Dror M. Bittner, Peter F. Bernath
Improved Ultraviolet And Infrared Oscillator Strengths For Oh+, James N. Hodges, Dror M. Bittner, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
Molecular ions are key reaction intermediates in the interstellar medium. OH+ plays a central role in the formation of more complex chemical species and for estimating the cosmic ray ionization rate in astrophysical environments. Here, we use a recent analysis of a laboratory spectrum in conjunction with ab initio methods to calculate infrared and ultraviolet oscillator strengths. These new oscillator strengths include branch dependent intensity corrections, arising from the Herman–Wallis effect, that have not been included before. We estimate 10% total uncertainty in the UV and 6% total uncertainty in the IR for the oscillator strengths.
Line Lists For Lif And Licl In The X1Σ+ Ground State, Dror M. Bittner, Peter F. Bernath
Line Lists For Lif And Licl In The X1Σ+ Ground State, Dror M. Bittner, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
Vibration–rotation line lists for 6LiF, 7LiF, 6Li35Cl, 6Li37Cl, 7Li35Cl, and 7Li37Cl in the X1Σ+ ground states have been prepared. The rovibrational energy levels have been calculated using potential energy surfaces determined by direct potential-fitting employing the rotational and rovibrational transition frequencies of all isotopologues, and required the inclusion of Born–Oppenheimer breakdown terms. Dipole moment functions calculated ab initio at the MRCI/aug-cc-pwCV5Z level have been used for line strength calculations. Partition functions for temperatures up to 5000 K have been calculated. LiF and LiCl …