Literature DB >> 27239070

Microwave Rotational Spectral Study of SO2-CO.

F J Lovas1, M K Sprague2.   

Abstract

The microwave spectrum of the molecular complex of sulfur dioxide (SO2) with carbon monoxide (CO) has been studied with a pulsed-beam Fourier Transform Microwave Spectrometer (FTMW) from a pair of gas samples of 1 % by volume of SO2 and CO in Ar, and introduced via separate capillary inputs to the flow nozzle. The frequency coverage was about 7 GHz to 16 GHz for various isotopomers. The molecular structure was determined with the aid of spectral studies of isotopically substituted monomers containing 13C, 18O and 34S. The rotational analyses provide the rotational and centrifugal distortion constants for all of the isotopomers analyzed. The structure determination is compared to detailed ab initio structural calculations. The electric dipole moment components along the a- and c-axis were determined from Stark effect measurements.

Entities:  

Keywords:  carbon monoxide; dimer; microwave spectrum; rotational spectrum; structure; sulfur dioxide

Year:  2015        PMID: 27239070      PMCID: PMC4880989          DOI: 10.1016/j.jms.2015.07.005

Source DB:  PubMed          Journal:  J Mol Spectrosc        ISSN: 0022-2852            Impact factor:   1.507


  3 in total

1.  Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.

Authors:  Kirk A Peterson; Thomas B Adler; Hans-Joachim Werner
Journal:  J Chem Phys       Date:  2008-02-28       Impact factor: 3.488

2.  Simplified CCSD(T)-F12 methods: theory and benchmarks.

Authors:  Gerald Knizia; Thomas B Adler; Hans-Joachim Werner
Journal:  J Chem Phys       Date:  2009-02-07       Impact factor: 3.488

3.  Toward large scale vibrational configuration interaction calculations.

Authors:  Michael Neff; Guntram Rauhut
Journal:  J Chem Phys       Date:  2009-09-28       Impact factor: 3.488

  3 in total

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