Bibliographic Details
| 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] |
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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 |
