THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS
The microwave rotational spectra of the van der Waals trimers Ar 2-OCS, Ar2-OC34S, and Ar2- 18OCS have been observed between 7.0 and 18.0 GHz using pulsed molecular beam microwave Fourier transform (MWFT) spectroscopy. Sixty-five transitions, both a and c type, have been assigned for Ar2-OCS, as wel...
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| Format: | Journal article |
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1993
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| _version_ | 1797098222251933696 |
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| author | Xu, Y Gerry, M Connelly, J Howard, B |
| author_facet | Xu, Y Gerry, M Connelly, J Howard, B |
| author_sort | Xu, Y |
| collection | OXFORD |
| description | The microwave rotational spectra of the van der Waals trimers Ar 2-OCS, Ar2-OC34S, and Ar2- 18OCS have been observed between 7.0 and 18.0 GHz using pulsed molecular beam microwave Fourier transform (MWFT) spectroscopy. Sixty-five transitions, both a and c type, have been assigned for Ar2-OCS, as well as 37 transitions and 19 transitions for Ar2-OC34S and Ar2-18OCS, respectively. The rotational constants and quartic centrifugal distortion constants have been determined. The trimer has been found to be a distorted tetrahedrally shaped highly asymmetric top (κ=∼0.377) with the OCS subunit lying in the Cs symmetry plane. An effective ground state structure has been determined. The Ar-Ar distance and the two "Ar-center of mass of OCS" distances are slightly longer than those in the corresponding dimers Ar2 and Ar-OCS, respectively. A harmonic force field analysis has been performed on the basis of the centrifugal distortion constants, to predict the van der Waals force constants and the corresponding vibrational frequencies. The Ar-Ar stretch force constant of the trimer is 0.008 42 mdyn Å-1, which compares favorably with 0.0078 mdyn Å-1 reported for the free dimer Ar2. A comparison of the geometry and spectroscopic properties of Ar2-OCS with those of Ar2 and of the Ar2-HX (X=F, Cl, CN) trimers is given. © 1993 American Institute of Physics. |
| first_indexed | 2024-03-07T05:06:32Z |
| format | Journal article |
| id | oxford-uuid:da1e10eb-1d5b-423e-897d-24452873039b |
| institution | University of Oxford |
| last_indexed | 2024-03-07T05:06:32Z |
| publishDate | 1993 |
| record_format | dspace |
| spelling | oxford-uuid:da1e10eb-1d5b-423e-897d-24452873039b2022-03-27T09:00:45ZTHE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCSJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:da1e10eb-1d5b-423e-897d-24452873039bSymplectic Elements at Oxford1993Xu, YGerry, MConnelly, JHoward, BThe microwave rotational spectra of the van der Waals trimers Ar 2-OCS, Ar2-OC34S, and Ar2- 18OCS have been observed between 7.0 and 18.0 GHz using pulsed molecular beam microwave Fourier transform (MWFT) spectroscopy. Sixty-five transitions, both a and c type, have been assigned for Ar2-OCS, as well as 37 transitions and 19 transitions for Ar2-OC34S and Ar2-18OCS, respectively. The rotational constants and quartic centrifugal distortion constants have been determined. The trimer has been found to be a distorted tetrahedrally shaped highly asymmetric top (κ=∼0.377) with the OCS subunit lying in the Cs symmetry plane. An effective ground state structure has been determined. The Ar-Ar distance and the two "Ar-center of mass of OCS" distances are slightly longer than those in the corresponding dimers Ar2 and Ar-OCS, respectively. A harmonic force field analysis has been performed on the basis of the centrifugal distortion constants, to predict the van der Waals force constants and the corresponding vibrational frequencies. The Ar-Ar stretch force constant of the trimer is 0.008 42 mdyn Å-1, which compares favorably with 0.0078 mdyn Å-1 reported for the free dimer Ar2. A comparison of the geometry and spectroscopic properties of Ar2-OCS with those of Ar2 and of the Ar2-HX (X=F, Cl, CN) trimers is given. © 1993 American Institute of Physics. |
| spellingShingle | Xu, Y Gerry, M Connelly, J Howard, B THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title | THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title_full | THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title_fullStr | THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title_full_unstemmed | THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title_short | THE MICROWAVE-SPECTRUM, STRUCTURE, AND HARMONIC FORCE-FIELD OF THE VANDERWAALS TRIMER AR2-OCS |
| title_sort | microwave spectrum structure and harmonic force field of the vanderwaals trimer ar2 ocs |
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