FTIR synchrotron spectroscopy of the S-H stretching fundamental of the 12CH332SH species of methyl mercaptan.
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| Title: | FTIR synchrotron spectroscopy of the S-H stretching fundamental of the 12CH |
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| Authors: | Lees, R. M.1 lees@unb.ca, Xu, Li-Hong1, Twagirayezu, S.2, Perry, D. S.3, Dawadi, M. B.3, Billinghurst, B. E.4 |
| Source: | Molecular Physics. Dec2018, Vol. 116 Issue 23/24, p3554-3563. 10p. |
| Subjects: | Synchrotron radiation, Thiols, Fourier transform infrared spectroscopy, Atmospheric chemistry, Vibrational redistribution (Molecular physics), Potential energy, Microwaves |
| Abstract: | The infrared Fourier transform spectrum of the S-H stretching fundamental band of 12CH332SH has been recorded using synchrotron radiation at the far-infrared beamline of the Canadian Light Source in Saskatoon. The S-H stretch is a hybrid band predominantly of perpendicular b-type with a small parallel a-component. With both ΔK = +1 and ΔK = −1 sub-bands present, the assignments are well determined from ground-state combination difference relations. The identified sub-bands access S-H stretching ground torsional substates from K′ = 0-14 for A and E torsional species. The substate origins have been obtained by expanding the term values in J(J + 1) power series, and have been fitted to a simple 6-parameter Fourier Hamiltonian to deduce the torsional energies. The oscillation amplitude of the S-H stretching torsional curves is 0.547 cm−1 compared to 0.653 cm−1 for the ground state, implying an increase on the order of 6.9% in the torsional barrier height. The vibrational wavenumber for the S-H stretch mode is found to be 2603.5 cm−1. [ABSTRACT FROM AUTHOR] |
| Copyright of Molecular Physics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Items | – Name: Title Label: Title Group: Ti Data: FTIR synchrotron spectroscopy of the S-H stretching fundamental of the <superscript>12</superscript>CH<subscript>3</subscript><superscript>32</superscript>SH species of methyl mercaptan. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Lees%2C+R%2E+M%2E%22">Lees, R. M.</searchLink><relatesTo>1</relatesTo><i> lees@unb.ca</i><br /><searchLink fieldCode="AR" term="%22Xu%2C+Li-Hong%22">Xu, Li-Hong</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Twagirayezu%2C+S%2E%22">Twagirayezu, S.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Perry%2C+D%2E+S%2E%22">Perry, D. S.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Dawadi%2C+M%2E+B%2E%22">Dawadi, M. B.</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Billinghurst%2C+B%2E+E%2E%22">Billinghurst, B. E.</searchLink><relatesTo>4</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Molecular+Physics%22">Molecular Physics</searchLink>. Dec2018, Vol. 116 Issue 23/24, p3554-3563. 10p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Synchrotron+radiation%22">Synchrotron radiation</searchLink><br /><searchLink fieldCode="DE" term="%22Thiols%22">Thiols</searchLink><br /><searchLink fieldCode="DE" term="%22Fourier+transform+infrared+spectroscopy%22">Fourier transform infrared spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Atmospheric+chemistry%22">Atmospheric chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Vibrational+redistribution+%28Molecular+physics%29%22">Vibrational redistribution (Molecular physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Potential+energy%22">Potential energy</searchLink><br /><searchLink fieldCode="DE" term="%22Microwaves%22">Microwaves</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: The infrared Fourier transform spectrum of the S-H stretching fundamental band of 12CH332SH has been recorded using synchrotron radiation at the far-infrared beamline of the Canadian Light Source in Saskatoon. The S-H stretch is a hybrid band predominantly of perpendicular b-type with a small parallel a-component. With both ΔK = +1 and ΔK = −1 sub-bands present, the assignments are well determined from ground-state combination difference relations. The identified sub-bands access S-H stretching ground torsional substates from K′ = 0-14 for A and E torsional species. The substate origins have been obtained by expanding the term values in J(J + 1) power series, and have been fitted to a simple 6-parameter Fourier Hamiltonian to deduce the torsional energies. The oscillation amplitude of the S-H stretching torsional curves is 0.547 cm−1 compared to 0.653 cm−1 for the ground state, implying an increase on the order of 6.9% in the torsional barrier height. The vibrational wavenumber for the S-H stretch mode is found to be 2603.5 cm−1. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Molecular Physics is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1080/00268976.2018.1451931 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 10 StartPage: 3554 Subjects: – SubjectFull: Synchrotron radiation Type: general – SubjectFull: Thiols Type: general – SubjectFull: Fourier transform infrared spectroscopy Type: general – SubjectFull: Atmospheric chemistry Type: general – SubjectFull: Vibrational redistribution (Molecular physics) Type: general – SubjectFull: Potential energy Type: general – SubjectFull: Microwaves Type: general Titles: – TitleFull: FTIR synchrotron spectroscopy of the S-H stretching fundamental of the 12CH332SH species of methyl mercaptan. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Lees, R. M. – PersonEntity: Name: NameFull: Xu, Li-Hong – PersonEntity: Name: NameFull: Twagirayezu, S. – PersonEntity: Name: NameFull: Perry, D. S. – PersonEntity: Name: NameFull: Dawadi, M. B. – PersonEntity: Name: NameFull: Billinghurst, B. E. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 12 Text: Dec2018 Type: published Y: 2018 Identifiers: – Type: issn-print Value: 00268976 Numbering: – Type: volume Value: 116 – Type: issue Value: 23/24 Titles: – TitleFull: Molecular Physics Type: main |
| ResultId | 1 |
