Raman spectroscopy of diamondoids
Saved in:
| Title: | Raman spectroscopy of diamondoids |
|---|---|
| Authors: | Filik, Jacob1 jacob.filik@bris.ac.uk, Harvey, Jeremy N.1, Allan, Neil L.1, May, Paul W.1 http://www.chm.bris.ac.uk/pt/diamond., Dahl, Jeremy E.P.2, Liu, Shenggao2, Carlson, Robert M.K.2 |
| Source: | Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jun2006, Vol. 64 Issue 3, p681-692. 12p. |
| Subjects: | Raman spectroscopy, Spectrum analysis, Hydrocarbons, Organic compounds, Adamantane, Valence (Chemistry) |
| Abstract: | Abstract: A selection of diamondoid hydrocarbons, from adamantane to [121321] heptamantane, have been analysed by multi-wavelength laser Raman spectroscopy. Spectra were assigned using vibrational frequencies and Raman intensities were calculated by employing the B3LYP functional and the split valence basis set of Schafer, Horn and Ahlrichs with polarisation functions on carbon atoms. The variation of the spectra and associated vibrational modes with the structure and symmetry of the molecules are discussed. Each diamondoid was found to produce a unique Raman spectrum, allowing for easy differentiation between molecules. Using the peak assignments derived from the calculations we find that the low frequency region of the spectra, corresponding to CCC-bending/CC-stretching modes, is particularly characteristic of the geometric shape of the diamondoid molecules. [Copyright &y& Elsevier] |
| Copyright of Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy is the property of Elsevier B.V. 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: 20823488 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Raman spectroscopy of diamondoids – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Filik%2C+Jacob%22">Filik, Jacob</searchLink><relatesTo>1</relatesTo><i> jacob.filik@bris.ac.uk</i><br /><searchLink fieldCode="AR" term="%22Harvey%2C+Jeremy+N%2E%22">Harvey, Jeremy N.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Allan%2C+Neil+L%2E%22">Allan, Neil L.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22May%2C+Paul+W%2E%22">May, Paul W.</searchLink><relatesTo>1</relatesTo><i> http://www.chm.bris.ac.uk/pt/diamond.</i><br /><searchLink fieldCode="AR" term="%22Dahl%2C+Jeremy+E%2EP%2E%22">Dahl, Jeremy E.P.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Liu%2C+Shenggao%22">Liu, Shenggao</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Carlson%2C+Robert+M%2EK%2E%22">Carlson, Robert M.K.</searchLink><relatesTo>2</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Spectrochimica+Acta+Part+A%3A+Molecular+%26+Biomolecular+Spectroscopy%22">Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy</searchLink>. Jun2006, Vol. 64 Issue 3, p681-692. 12p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Raman+spectroscopy%22">Raman spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Spectrum+analysis%22">Spectrum analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrocarbons%22">Hydrocarbons</searchLink><br /><searchLink fieldCode="DE" term="%22Organic+compounds%22">Organic compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Adamantane%22">Adamantane</searchLink><br /><searchLink fieldCode="DE" term="%22Valence+%28Chemistry%29%22">Valence (Chemistry)</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Abstract: A selection of diamondoid hydrocarbons, from adamantane to [121321] heptamantane, have been analysed by multi-wavelength laser Raman spectroscopy. Spectra were assigned using vibrational frequencies and Raman intensities were calculated by employing the B3LYP functional and the split valence basis set of Schafer, Horn and Ahlrichs with polarisation functions on carbon atoms. The variation of the spectra and associated vibrational modes with the structure and symmetry of the molecules are discussed. Each diamondoid was found to produce a unique Raman spectrum, allowing for easy differentiation between molecules. Using the peak assignments derived from the calculations we find that the low frequency region of the spectra, corresponding to CCC-bending/CC-stretching modes, is particularly characteristic of the geometric shape of the diamondoid molecules. [Copyright &y& Elsevier] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy is the property of Elsevier B.V. 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=20823488 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.saa.2005.07.070 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 12 StartPage: 681 Subjects: – SubjectFull: Raman spectroscopy Type: general – SubjectFull: Spectrum analysis Type: general – SubjectFull: Hydrocarbons Type: general – SubjectFull: Organic compounds Type: general – SubjectFull: Adamantane Type: general – SubjectFull: Valence (Chemistry) Type: general Titles: – TitleFull: Raman spectroscopy of diamondoids Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Filik, Jacob – PersonEntity: Name: NameFull: Harvey, Jeremy N. – PersonEntity: Name: NameFull: Allan, Neil L. – PersonEntity: Name: NameFull: May, Paul W. – PersonEntity: Name: NameFull: Dahl, Jeremy E.P. – PersonEntity: Name: NameFull: Liu, Shenggao – PersonEntity: Name: NameFull: Carlson, Robert M.K. IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 06 Text: Jun2006 Type: published Y: 2006 Identifiers: – Type: issn-print Value: 13861425 Numbering: – Type: volume Value: 64 – Type: issue Value: 3 Titles: – TitleFull: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy Type: main |
| ResultId | 1 |
