Unraveling torsional bath interactions with the CO stretching state in methanol.
Saved in:
| Title: | Unraveling torsional bath interactions with the CO stretching state in methanol. |
|---|---|
| Authors: | Pearson, John C.1 John.C.Pearson@jpl.nasa.gov, Daly, Adam M.1, Lees, Ronald M.2 |
| Source: | Journal of Molecular Spectroscopy. Dec2015, Vol. 318, p70-77. 8p. |
| Subjects: | Carbon monoxide, Stretching of materials, Methanol, Manifolds (Mathematics), Quantum mechanics |
| Abstract: | Quantum mechanical models describing the effects of a C 3 internal rotor have been successful in modeling all the torsional manifolds of isolated vibrational states. However, modeling the coupling between nearly degenerate small amplitude vibrations in the C 3 internal rotation case remains far from satisfactory and a variety of practical and fundamental questions persist on basis sets, the relative importance of effects and how the problem should be approached. The ν 8 C–O stretching state of methanol has been well studied with infrared techniques and has the potential to serve as an experimental reference data set for the development of models for the coupled large and small amplitude motion case. A combined infrared-microwave study of the lowest K A-states of v t = 3, v t = 4 and ν 8 has been performed to understand the nature of the interactions between ν 8 the excited torsional states. The interaction between v t = 4 and ν 8 at K = 0 + has been confirmed to be Fermi type with magnitude of 2.5 cm −1 . Additionally, the fundamental a -symmetry and b -symmetry Coriolis interactions between v t = 3 and ν 8 have been estimated to be 8900 MHz and −360 MHz, respectively. The magnitude of these interactions suggests that modeling the ν 8 state, the v t = 3 state, and the v t = 4 states will have to carefully account for these interactions. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Molecular Spectroscopy is the property of Academic Press Inc. 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 |
| FullText | Text: Availability: 0 |
|---|---|
| Header | DbId: egs DbLabel: Engineering Source An: 110944535 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Unraveling torsional bath interactions with the CO stretching state in methanol. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Pearson%2C+John+C%2E%22">Pearson, John C.</searchLink><relatesTo>1</relatesTo><i> John.C.Pearson@jpl.nasa.gov</i><br /><searchLink fieldCode="AR" term="%22Daly%2C+Adam+M%2E%22">Daly, Adam M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Lees%2C+Ronald+M%2E%22">Lees, Ronald M.</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Spectroscopy%22">Journal of Molecular Spectroscopy</searchLink>. Dec2015, Vol. 318, p70-77. 8p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Carbon+monoxide%22">Carbon monoxide</searchLink><br /><searchLink fieldCode="DE" term="%22Stretching+of+materials%22">Stretching of materials</searchLink><br /><searchLink fieldCode="DE" term="%22Methanol%22">Methanol</searchLink><br /><searchLink fieldCode="DE" term="%22Manifolds+%28Mathematics%29%22">Manifolds (Mathematics)</searchLink><br /><searchLink fieldCode="DE" term="%22Quantum+mechanics%22">Quantum mechanics</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Quantum mechanical models describing the effects of a C 3 internal rotor have been successful in modeling all the torsional manifolds of isolated vibrational states. However, modeling the coupling between nearly degenerate small amplitude vibrations in the C 3 internal rotation case remains far from satisfactory and a variety of practical and fundamental questions persist on basis sets, the relative importance of effects and how the problem should be approached. The ν 8 C–O stretching state of methanol has been well studied with infrared techniques and has the potential to serve as an experimental reference data set for the development of models for the coupled large and small amplitude motion case. A combined infrared-microwave study of the lowest K A-states of v t = 3, v t = 4 and ν 8 has been performed to understand the nature of the interactions between ν 8 the excited torsional states. The interaction between v t = 4 and ν 8 at K = 0 + has been confirmed to be Fermi type with magnitude of 2.5 cm −1 . Additionally, the fundamental a -symmetry and b -symmetry Coriolis interactions between v t = 3 and ν 8 have been estimated to be 8900 MHz and −360 MHz, respectively. The magnitude of these interactions suggests that modeling the ν 8 state, the v t = 3 state, and the v t = 4 states will have to carefully account for these interactions. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Molecular Spectroscopy is the property of Academic Press Inc. 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.) |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=110944535 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.jms.2015.08.008 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 8 StartPage: 70 Subjects: – SubjectFull: Carbon monoxide Type: general – SubjectFull: Stretching of materials Type: general – SubjectFull: Methanol Type: general – SubjectFull: Manifolds (Mathematics) Type: general – SubjectFull: Quantum mechanics Type: general Titles: – TitleFull: Unraveling torsional bath interactions with the CO stretching state in methanol. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Pearson, John C. – PersonEntity: Name: NameFull: Daly, Adam M. – PersonEntity: Name: NameFull: Lees, Ronald M. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 12 Text: Dec2015 Type: published Y: 2015 Identifiers: – Type: issn-print Value: 00222852 Numbering: – Type: volume Value: 318 Titles: – TitleFull: Journal of Molecular Spectroscopy Type: main |
| ResultId | 1 |
