Conformational and spectroscopic investigation of 3-hydroxyflavone–aluminium chelates
3-Hydroxyflavone (3HF), which is the simplest molecule of the flavonol class, possesses chelating properties towards Al(III). Spectrophotometric methods have shown that the 3HF molecule forms an Al(3HF) 2 complex in pure methanol. The structure of this complex, obtained by quantum semi-empirical AM1...
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| Veröffentlicht in: | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2000-03, Vol.56 (4), p.829-839 |
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| container_title | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
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| creator | Boudet, Anne-Charlotte Cornard, Jean-Paul Merlin, Jean-Claude |
| description | 3-Hydroxyflavone (3HF), which is the simplest molecule of the flavonol class, possesses chelating properties towards Al(III). Spectrophotometric methods have shown that the 3HF molecule forms an Al(3HF)
2 complex in pure methanol. The structure of this complex, obtained by quantum semi-empirical AM1 method, indicated that complexed 3HF adopts a pyronium form. Structural and electronic modifications induced by chelation are illustrated by the important frequency shifts observed between free and complexed 3HF FT–Raman spectra and by the chemical shifts variations in the
13C NMR spectra of the two species. Complexes with the same stoichiometry were formed when AcO
− or MeO
− are present in the medium. However, in acidic medium the chelate composition is Al
2(3HF). |
| doi_str_mv | 10.1016/S1386-1425(99)00284-X |
| format | Article |
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2 complex in pure methanol. The structure of this complex, obtained by quantum semi-empirical AM1 method, indicated that complexed 3HF adopts a pyronium form. Structural and electronic modifications induced by chelation are illustrated by the important frequency shifts observed between free and complexed 3HF FT–Raman spectra and by the chemical shifts variations in the
13C NMR spectra of the two species. Complexes with the same stoichiometry were formed when AcO
− or MeO
− are present in the medium. However, in acidic medium the chelate composition is Al
2(3HF).</description><identifier>ISSN: 1386-1425</identifier><identifier>DOI: 10.1016/S1386-1425(99)00284-X</identifier><identifier>PMID: 10794456</identifier><language>eng</language><publisher>England: Elsevier B.V</publisher><subject>3-Hydroxyflavone ; Acids ; Al(III) ; Alkalies ; Aluminum - chemistry ; Chelating Agents - chemistry ; Complexation ; Conformation, AM1 ; Flavonoids - chemistry ; Magnetic Resonance Spectroscopy - methods ; Methanol - chemistry ; Molecular Conformation ; Molecular Structure ; NMR spectrometry ; Spectrophotometry ; Spectrum Analysis, Raman - methods ; Stoichiometry ; Vibrational spectrometry</subject><ispartof>Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2000-03, Vol.56 (4), p.829-839</ispartof><rights>2000 Elsevier Science B.V.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c361t-792fe57da287803fcc09c6eea1f2e973f6be4bc5751ebf365b2dbed68fcd5ae33</citedby><cites>FETCH-LOGICAL-c361t-792fe57da287803fcc09c6eea1f2e973f6be4bc5751ebf365b2dbed68fcd5ae33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/S1386-1425(99)00284-X$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/10794456$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Boudet, Anne-Charlotte</creatorcontrib><creatorcontrib>Cornard, Jean-Paul</creatorcontrib><creatorcontrib>Merlin, Jean-Claude</creatorcontrib><title>Conformational and spectroscopic investigation of 3-hydroxyflavone–aluminium chelates</title><title>Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy</title><addtitle>Spectrochim Acta A Mol Biomol Spectrosc</addtitle><description>3-Hydroxyflavone (3HF), which is the simplest molecule of the flavonol class, possesses chelating properties towards Al(III). Spectrophotometric methods have shown that the 3HF molecule forms an Al(3HF)
2 complex in pure methanol. The structure of this complex, obtained by quantum semi-empirical AM1 method, indicated that complexed 3HF adopts a pyronium form. Structural and electronic modifications induced by chelation are illustrated by the important frequency shifts observed between free and complexed 3HF FT–Raman spectra and by the chemical shifts variations in the
13C NMR spectra of the two species. Complexes with the same stoichiometry were formed when AcO
− or MeO
− are present in the medium. However, in acidic medium the chelate composition is Al
2(3HF).</description><subject>3-Hydroxyflavone</subject><subject>Acids</subject><subject>Al(III)</subject><subject>Alkalies</subject><subject>Aluminum - chemistry</subject><subject>Chelating Agents - chemistry</subject><subject>Complexation</subject><subject>Conformation, AM1</subject><subject>Flavonoids - chemistry</subject><subject>Magnetic Resonance Spectroscopy - methods</subject><subject>Methanol - chemistry</subject><subject>Molecular Conformation</subject><subject>Molecular Structure</subject><subject>NMR spectrometry</subject><subject>Spectrophotometry</subject><subject>Spectrum Analysis, Raman - methods</subject><subject>Stoichiometry</subject><subject>Vibrational spectrometry</subject><issn>1386-1425</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2000</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkLtOwzAUhj2AaCk8AigTgiFg52InE0IVN6kSAyC6WY59TI2SONhJRTfegTfkSUibCrExHeno-8_lQ-iI4HOCCb14JHFGQ5JE6Wmen2EcZUk430Hj3_YI7Xv_hjEmWYT30IhglidJSsfoZWprbV0lWmNrUQaiVoFvQLbOemkbIwNTL8G35nVDBFYHcbhYKWc_VroUS1vD9-eXKLvK1KarArmAUrTgD9CuFqWHw22doOeb66fpXTh7uL2fXs1CGVPShiyPNKRMiShjGY61lDiXFEAQHUHOYk0LSAqZspRAoWOaFpEqQNFMS5UKiOMJOhnmNs6-d_2hvDJeQlmKGmznOSM4w5itwXQAZf-Zd6B540wl3IoTzNcW-cYiX-viec43Fvm8zx1vF3RFBepPalDYA5cDAP2bSwOOe2mglqCM6z1yZc0_K34AIOGIaA</recordid><startdate>20000301</startdate><enddate>20000301</enddate><creator>Boudet, Anne-Charlotte</creator><creator>Cornard, Jean-Paul</creator><creator>Merlin, Jean-Claude</creator><general>Elsevier B.V</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20000301</creationdate><title>Conformational and spectroscopic investigation of 3-hydroxyflavone–aluminium chelates</title><author>Boudet, Anne-Charlotte ; Cornard, Jean-Paul ; Merlin, Jean-Claude</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c361t-792fe57da287803fcc09c6eea1f2e973f6be4bc5751ebf365b2dbed68fcd5ae33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2000</creationdate><topic>3-Hydroxyflavone</topic><topic>Acids</topic><topic>Al(III)</topic><topic>Alkalies</topic><topic>Aluminum - chemistry</topic><topic>Chelating Agents - chemistry</topic><topic>Complexation</topic><topic>Conformation, AM1</topic><topic>Flavonoids - chemistry</topic><topic>Magnetic Resonance Spectroscopy - methods</topic><topic>Methanol - chemistry</topic><topic>Molecular Conformation</topic><topic>Molecular Structure</topic><topic>NMR spectrometry</topic><topic>Spectrophotometry</topic><topic>Spectrum Analysis, Raman - methods</topic><topic>Stoichiometry</topic><topic>Vibrational spectrometry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Boudet, Anne-Charlotte</creatorcontrib><creatorcontrib>Cornard, Jean-Paul</creatorcontrib><creatorcontrib>Merlin, Jean-Claude</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Boudet, Anne-Charlotte</au><au>Cornard, Jean-Paul</au><au>Merlin, Jean-Claude</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Conformational and spectroscopic investigation of 3-hydroxyflavone–aluminium chelates</atitle><jtitle>Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy</jtitle><addtitle>Spectrochim Acta A Mol Biomol Spectrosc</addtitle><date>2000-03-01</date><risdate>2000</risdate><volume>56</volume><issue>4</issue><spage>829</spage><epage>839</epage><pages>829-839</pages><issn>1386-1425</issn><abstract>3-Hydroxyflavone (3HF), which is the simplest molecule of the flavonol class, possesses chelating properties towards Al(III). Spectrophotometric methods have shown that the 3HF molecule forms an Al(3HF)
2 complex in pure methanol. The structure of this complex, obtained by quantum semi-empirical AM1 method, indicated that complexed 3HF adopts a pyronium form. Structural and electronic modifications induced by chelation are illustrated by the important frequency shifts observed between free and complexed 3HF FT–Raman spectra and by the chemical shifts variations in the
13C NMR spectra of the two species. Complexes with the same stoichiometry were formed when AcO
− or MeO
− are present in the medium. However, in acidic medium the chelate composition is Al
2(3HF).</abstract><cop>England</cop><pub>Elsevier B.V</pub><pmid>10794456</pmid><doi>10.1016/S1386-1425(99)00284-X</doi><tpages>11</tpages></addata></record> |
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| source | MEDLINE; Elsevier ScienceDirect Journals Complete |
| subjects | 3-Hydroxyflavone Acids Al(III) Alkalies Aluminum - chemistry Chelating Agents - chemistry Complexation Conformation, AM1 Flavonoids - chemistry Magnetic Resonance Spectroscopy - methods Methanol - chemistry Molecular Conformation Molecular Structure NMR spectrometry Spectrophotometry Spectrum Analysis, Raman - methods Stoichiometry Vibrational spectrometry |
| title | Conformational and spectroscopic investigation of 3-hydroxyflavone–aluminium chelates |
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