UV-Raman study and theoretical analogue of picolinic acid in aqueous solution
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| Title: | UV-Raman study and theoretical analogue of picolinic acid in aqueous solution |
|---|---|
| Authors: | Wang, Li-Ran1 wedu@263.net, Fang, Yan |
| Source: | Journal of Molecular Spectroscopy. Nov2005, Vol. 234 Issue 1, p137-142. 6p. |
| Subjects: | Raman effect, Hydrogen-ion concentration, Spectrum analysis, Density functionals |
| Abstract: | Abstract: High quality Raman spectrum of picolinic acid aqueous solution with ultraviolet (UV) excitation of 325nm was obtained in this article. The state of picolinic acid in aqueous solution has been investigated over a wide range of solution pH values. The distinct changes of UV-Raman spectra accompanied with the pH variations indicate the changes of molecule structure. The calculations based on density functional theory were used to analyze the states of picolinic acid in aqueous solution. By comparing the experimental frequencies with the calculated ones, it can be concluded that when pH value varies from high to low, the picolinic acid tends to change from the anion form to the zwitterion that have the intermolecular hydrogen COOH⋯N bond. [Copyright &y& Elsevier] |
| 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 |
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| Header | DbId: egs DbLabel: Engineering Source An: 19085151 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: UV-Raman study and theoretical analogue of picolinic acid in aqueous solution – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Wang%2C+Li-Ran%22">Wang, Li-Ran</searchLink><relatesTo>1</relatesTo><i> wedu@263.net</i><br /><searchLink fieldCode="AR" term="%22Fang%2C+Yan%22">Fang, Yan</searchLink> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Molecular+Spectroscopy%22">Journal of Molecular Spectroscopy</searchLink>. Nov2005, Vol. 234 Issue 1, p137-142. 6p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Raman+effect%22">Raman effect</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen-ion+concentration%22">Hydrogen-ion concentration</searchLink><br /><searchLink fieldCode="DE" term="%22Spectrum+analysis%22">Spectrum analysis</searchLink><br /><searchLink fieldCode="DE" term="%22Density+functionals%22">Density functionals</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Abstract: High quality Raman spectrum of picolinic acid aqueous solution with ultraviolet (UV) excitation of 325nm was obtained in this article. The state of picolinic acid in aqueous solution has been investigated over a wide range of solution pH values. The distinct changes of UV-Raman spectra accompanied with the pH variations indicate the changes of molecule structure. The calculations based on density functional theory were used to analyze the states of picolinic acid in aqueous solution. By comparing the experimental frequencies with the calculated ones, it can be concluded that when pH value varies from high to low, the picolinic acid tends to change from the anion form to the zwitterion that have the intermolecular hydrogen COOH⋯N bond. [Copyright &y& Elsevier] – 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.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.jms.2005.09.003 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 6 StartPage: 137 Subjects: – SubjectFull: Raman effect Type: general – SubjectFull: Hydrogen-ion concentration Type: general – SubjectFull: Spectrum analysis Type: general – SubjectFull: Density functionals Type: general Titles: – TitleFull: UV-Raman study and theoretical analogue of picolinic acid in aqueous solution Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Wang, Li-Ran – PersonEntity: Name: NameFull: Fang, Yan IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 11 Text: Nov2005 Type: published Y: 2005 Identifiers: – Type: issn-print Value: 00222852 Numbering: – Type: volume Value: 234 – Type: issue Value: 1 Titles: – TitleFull: Journal of Molecular Spectroscopy Type: main |
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