Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study.
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| Title: | Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study. |
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| Authors: | Samsonowicz, M.1 m.samsonowicz@pb.edu.pl |
| Source: | Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jan2014, Vol. 118, p1086-1097. 12p. |
| Subjects: | Molecular structure, Phenoxyacetic acid, Molecular spectroscopy, Benzoic acid, Atomic charges, Natural orbitals |
| Abstract: | Highlights: [•] The spectroscopic and theoretical data was studied in comparison to benzoic acid. [•] Comparative analysis of spectroscopic data of the title compounds was performed. [•] Optimized geometrical structures of studied compounds, atomic charges on the atoms were compared. [•] NBO analysis and HOMO and LUMO energies are predicted. [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 |
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