Molecular structure and spectroscopic analysis of homovanillic acid and its sodium salt – NMR, FT-IR and DFT studies.
Saved in:
| Title: | Molecular structure and spectroscopic analysis of homovanillic acid and its sodium salt – NMR, FT-IR and DFT studies. |
|---|---|
| Authors: | Samsonowicz, M.1 m.samsonowicz@pb.edu.pl, Kowczyk-Sadowy, M.1, Regulska, E.1, Lewandowski, W.1 |
| Source: | Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jan2014, Vol. 118, p1068-1074. 7p. |
| Subjects: | Molecular structure, Homovanillic acid, Density functional theory, Molecular spectroscopy, Nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy |
| Abstract: | Highlights: [•] The influenced of sodium on homovanillic acid molecule was discussed. [•] FT-IR, FT-Raman and NMR spectra were recorded. [•] The assignment of vibrational spectra of homovanillic acid and its sodium salt was done. [•] Optimized geometrical structures of studied compounds, atomic charges on the atoms, and NMR and IR spectra were calculated. [•] The theoretical parameters were compared with experimental characteristic of studied compounds. [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: 91868564 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
| IllustrationInfo | |
| Items | – Name: Title Label: Title Group: Ti Data: Molecular structure and spectroscopic analysis of homovanillic acid and its sodium salt – NMR, FT-IR and DFT studies. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Samsonowicz%2C+M%2E%22">Samsonowicz, M.</searchLink><relatesTo>1</relatesTo><i> m.samsonowicz@pb.edu.pl</i><br /><searchLink fieldCode="AR" term="%22Kowczyk-Sadowy%2C+M%2E%22">Kowczyk-Sadowy, M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Regulska%2C+E%2E%22">Regulska, E.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Lewandowski%2C+W%2E%22">Lewandowski, W.</searchLink><relatesTo>1</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>. Jan2014, Vol. 118, p1068-1074. 7p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Homovanillic+acid%22">Homovanillic acid</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functional+theory%22">Density functional theory</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+spectroscopy%22">Molecular spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Nuclear+magnetic+resonance+spectroscopy%22">Nuclear magnetic resonance spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Fourier+transform+infrared+spectroscopy%22">Fourier transform infrared spectroscopy</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Highlights: [•] The influenced of sodium on homovanillic acid molecule was discussed. [•] FT-IR, FT-Raman and NMR spectra were recorded. [•] The assignment of vibrational spectra of homovanillic acid and its sodium salt was done. [•] Optimized geometrical structures of studied compounds, atomic charges on the atoms, and NMR and IR spectra were calculated. [•] The theoretical parameters were compared with experimental characteristic of studied compounds. [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=91868564 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.saa.2013.09.123 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 7 StartPage: 1068 Subjects: – SubjectFull: Molecular structure Type: general – SubjectFull: Homovanillic acid Type: general – SubjectFull: Density functional theory Type: general – SubjectFull: Molecular spectroscopy Type: general – SubjectFull: Nuclear magnetic resonance spectroscopy Type: general – SubjectFull: Fourier transform infrared spectroscopy Type: general Titles: – TitleFull: Molecular structure and spectroscopic analysis of homovanillic acid and its sodium salt – NMR, FT-IR and DFT studies. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Samsonowicz, M. – PersonEntity: Name: NameFull: Kowczyk-Sadowy, M. – PersonEntity: Name: NameFull: Regulska, E. – PersonEntity: Name: NameFull: Lewandowski, W. IsPartOfRelationships: – BibEntity: Dates: – D: 24 M: 01 Text: Jan2014 Type: published Y: 2014 Identifiers: – Type: issn-print Value: 13861425 Numbering: – Type: volume Value: 118 Titles: – TitleFull: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy Type: main |
| ResultId | 1 |
