Literature DB >> 27733778

High-Resolution Rotational Spectrum, Dunham Coefficients, and Potential Energy Function of NaCl.

C Cabezas1, J Cernicharo2, G Quintana-Lacaci2, I Peña1, M Agundez2, L Velilla Prieto2, A Castro-Carrizo3, J Zuñiga4, A Bastida4, J L Alonso1, A Requena4.   

Abstract

We report laboratory spectroscopy for the first time of the J = 1-0 and J = 2-1 lines of Na35Cl and Na37Cl in several vibrational states. The hyperfine structure has been resolved in both transitions for all vibrational levels, which permit us to predict with high accuracy the hyperfine splitting of the rotational transitions of the two isotopologues at higher frequencies. The new data have been merged with all previous works at microwave, millimeter, and infrared wavelengths and fitted to a series of mass-independent Dunham parameters and to a potential energy function. The obtained parameters have been used to compute a new dipole moment function, from which the dipole moment for infrared transitions up to Δv = 8 has been derived. Frequency and intensity predictions are provided for all rovibrational transitions up to J = 150 and v = 8, from which the ALMA data of evolved stars can be modeled and interpreted.

Entities:  

Keywords:  astrochemistry; molecular data; molecular processes; radiative transfer; stars: AGB and post-AGB

Year:  2016        PMID: 27733778      PMCID: PMC5056638          DOI: 10.3847/0004-637x/825/2/150

Source DB:  PubMed          Journal:  Astrophys J        ISSN: 0004-637X            Impact factor:   5.874


  7 in total

1.  The Radial Hamiltonians for the X(1)Sigma(+) and B(1)Sigma(+) States of HCl.

Authors: 
Journal:  J Mol Spectrosc       Date:  2000-09       Impact factor: 1.507

2.  Fourier Transform Infrared Emission Spectroscopy of NaCl and KCl

Authors: 
Journal:  J Mol Spectrosc       Date:  1997-06       Impact factor: 1.507

3.  Far- and Mid-Infrared Emission Spectroscopy of LiH and LiD

Authors: 
Journal:  J Mol Spectrosc       Date:  1998-03       Impact factor: 1.507

4.  Unveiling the sweet conformations of D-fructopyranose.

Authors:  Celina Bermúdez; Isabel Peña; Carlos Cabezas; Adam M Daly; José L Alonso
Journal:  Chemphyschem       Date:  2013-02-10       Impact factor: 3.102

5.  Seven conformers of L-threonine in the gas phase: a LA-MB-FTMW study.

Authors:  José L Alonso; Cristóbal Pérez; M Eugenia Sanz; Juan C López; Susana Blanco
Journal:  Phys Chem Chem Phys       Date:  2009-01-28       Impact factor: 3.676

6.  Complete basis set extrapolated potential energy, dipole, and polarizability surfaces of alkali halide ion-neutral weakly avoided crossings with and without applied electric fields.

Authors:  Timothy J Giese; Darrin M York
Journal:  J Chem Phys       Date:  2004-05-01       Impact factor: 3.488

7.  SI-BEARING MOLECULES TOWARD IRC+10216: ALMA UNVEILS THE MOLECULAR ENVELOPE OF CWLEO.

Authors:  L Velilla Prieto; J Cernicharo; G Quintana-Lacaci; M Agúndez; A Castro-Carrizo; J P Fonfŕia; N Marcelino; J Zúñiga; A Requena; A Bastida; F Lique; M Guélin
Journal:  Astrophys J Lett       Date:  2015-06-01       Impact factor: 7.413

  7 in total

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