Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations
Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this...
Gespeichert in:
| Veröffentlicht in: | Journal of sol-gel science and technology 2006, Vol.37 (1), p.9-17 |
|---|---|
| Hauptverfasser: | , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 17 |
|---|---|
| container_issue | 1 |
| container_start_page | 9 |
| container_title | Journal of sol-gel science and technology |
| container_volume | 37 |
| creator | ZAMPIERI, M LAZARO, S. R PASKOCIMAS, C. A FERREIRA, A. G LONGO, E VARELA, J. A |
| description | Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this complex. These complexs were characterized by interaction between Ti4+ ion and citric acid carboxyls. Quantum mechanic simulations in level ab initio were used to study the electronic structure and natural charges (NBO) to both the complexs. Such techniques indicated the formation of an octahedral complex with an arrangement similar to Ti atom in the crystalline structure of the PbTiO3. A study using the technique FT-Raman made possible the confirmation of the interaction among the Ti4+ and Pb2+ ions with the citric acid carboxyls. |
| doi_str_mv | 10.1007/s10971-005-4892-2 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_29559945</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2259563588</sourcerecordid><originalsourceid>FETCH-LOGICAL-c377t-415eeed5876b7cb0b184c6b882330d6ef0920e1643f1607aad61bd8f5dcc15cc3</originalsourceid><addsrcrecordid>eNpdkEtLAzEUhYMoWKs_wF1AdDeaZCaTzFKKVaE-qHUdMplMTZlHmztZ9N-bPkBwdbn3fufAOQhdU3JPCREPQEkhaEIITzJZsISdoBHlIo1blp-iESmYTIgg4hxdAKxIBDMqRsh9DT6YIXjdYN3pZgsOcF_jhYtrhT9LbNzg9WBxANct8fvbfP-YLpK5bnWHwS2jDPbHTdDdEFrcWvOjO2cgftvQ6MH1HVyiszqC9uo4x-h7-rSYvCSzj-fXyeMsMakQQ5JRbq2tuBR5KUxJSiozk5dSsjQlVW7rmIRYmmdpTXMitK5yWlay5pUxlBuTjtHdwXft-02wMKjWgbFNozvbB1Cs4LwoMh7Bm3_gqg9-F0Yxxguep1zKSNEDZXwP4G2t1t612m8VJWpXvTpUr2Kjale9YlFze3TWYHRTe90ZB39CkXFWUJr-AiPcg7Y</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2259563588</pqid></control><display><type>article</type><title>Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations</title><source>SpringerNature Journals</source><creator>ZAMPIERI, M ; LAZARO, S. R ; PASKOCIMAS, C. A ; FERREIRA, A. G ; LONGO, E ; VARELA, J. A</creator><creatorcontrib>ZAMPIERI, M ; LAZARO, S. R ; PASKOCIMAS, C. A ; FERREIRA, A. G ; LONGO, E ; VARELA, J. A</creatorcontrib><description>Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this complex. These complexs were characterized by interaction between Ti4+ ion and citric acid carboxyls. Quantum mechanic simulations in level ab initio were used to study the electronic structure and natural charges (NBO) to both the complexs. Such techniques indicated the formation of an octahedral complex with an arrangement similar to Ti atom in the crystalline structure of the PbTiO3. A study using the technique FT-Raman made possible the confirmation of the interaction among the Ti4+ and Pb2+ ions with the citric acid carboxyls.</description><identifier>ISSN: 0928-0707</identifier><identifier>EISSN: 1573-4846</identifier><identifier>DOI: 10.1007/s10971-005-4892-2</identifier><language>eng</language><publisher>Heidelberg: Springer</publisher><subject>Aqueous solutions ; Chemistry ; Citric acid ; Colloidal gels. Colloidal sols ; Colloidal state and disperse state ; Electronic structure ; Exact sciences and technology ; General and physical chemistry ; Lead titanates ; NMR ; Nuclear magnetic resonance ; Prepolymers ; Quantum mechanics ; Structural analysis ; Titanium</subject><ispartof>Journal of sol-gel science and technology, 2006, Vol.37 (1), p.9-17</ispartof><rights>2006 INIST-CNRS</rights><rights>Journal of Sol-Gel Science and Technology is a copyright of Springer, (2006). All Rights Reserved.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c377t-415eeed5876b7cb0b184c6b882330d6ef0920e1643f1607aad61bd8f5dcc15cc3</citedby><cites>FETCH-LOGICAL-c377t-415eeed5876b7cb0b184c6b882330d6ef0920e1643f1607aad61bd8f5dcc15cc3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,4025,27927,27928,27929</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=17452911$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>ZAMPIERI, M</creatorcontrib><creatorcontrib>LAZARO, S. R</creatorcontrib><creatorcontrib>PASKOCIMAS, C. A</creatorcontrib><creatorcontrib>FERREIRA, A. G</creatorcontrib><creatorcontrib>LONGO, E</creatorcontrib><creatorcontrib>VARELA, J. A</creatorcontrib><title>Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations</title><title>Journal of sol-gel science and technology</title><description>Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this complex. These complexs were characterized by interaction between Ti4+ ion and citric acid carboxyls. Quantum mechanic simulations in level ab initio were used to study the electronic structure and natural charges (NBO) to both the complexs. Such techniques indicated the formation of an octahedral complex with an arrangement similar to Ti atom in the crystalline structure of the PbTiO3. A study using the technique FT-Raman made possible the confirmation of the interaction among the Ti4+ and Pb2+ ions with the citric acid carboxyls.</description><subject>Aqueous solutions</subject><subject>Chemistry</subject><subject>Citric acid</subject><subject>Colloidal gels. Colloidal sols</subject><subject>Colloidal state and disperse state</subject><subject>Electronic structure</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Lead titanates</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Prepolymers</subject><subject>Quantum mechanics</subject><subject>Structural analysis</subject><subject>Titanium</subject><issn>0928-0707</issn><issn>1573-4846</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2006</creationdate><recordtype>article</recordtype><sourceid>AFKRA</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><recordid>eNpdkEtLAzEUhYMoWKs_wF1AdDeaZCaTzFKKVaE-qHUdMplMTZlHmztZ9N-bPkBwdbn3fufAOQhdU3JPCREPQEkhaEIITzJZsISdoBHlIo1blp-iESmYTIgg4hxdAKxIBDMqRsh9DT6YIXjdYN3pZgsOcF_jhYtrhT9LbNzg9WBxANct8fvbfP-YLpK5bnWHwS2jDPbHTdDdEFrcWvOjO2cgftvQ6MH1HVyiszqC9uo4x-h7-rSYvCSzj-fXyeMsMakQQ5JRbq2tuBR5KUxJSiozk5dSsjQlVW7rmIRYmmdpTXMitK5yWlay5pUxlBuTjtHdwXft-02wMKjWgbFNozvbB1Cs4LwoMh7Bm3_gqg9-F0Yxxguep1zKSNEDZXwP4G2t1t612m8VJWpXvTpUr2Kjale9YlFze3TWYHRTe90ZB39CkXFWUJr-AiPcg7Y</recordid><startdate>2006</startdate><enddate>2006</enddate><creator>ZAMPIERI, M</creator><creator>LAZARO, S. R</creator><creator>PASKOCIMAS, C. A</creator><creator>FERREIRA, A. G</creator><creator>LONGO, E</creator><creator>VARELA, J. A</creator><general>Springer</general><general>Springer Nature B.V</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>L6V</scope><scope>M7S</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>2006</creationdate><title>Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations</title><author>ZAMPIERI, M ; LAZARO, S. R ; PASKOCIMAS, C. A ; FERREIRA, A. G ; LONGO, E ; VARELA, J. A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c377t-415eeed5876b7cb0b184c6b882330d6ef0920e1643f1607aad61bd8f5dcc15cc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2006</creationdate><topic>Aqueous solutions</topic><topic>Chemistry</topic><topic>Citric acid</topic><topic>Colloidal gels. Colloidal sols</topic><topic>Colloidal state and disperse state</topic><topic>Electronic structure</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Lead titanates</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Prepolymers</topic><topic>Quantum mechanics</topic><topic>Structural analysis</topic><topic>Titanium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>ZAMPIERI, M</creatorcontrib><creatorcontrib>LAZARO, S. R</creatorcontrib><creatorcontrib>PASKOCIMAS, C. A</creatorcontrib><creatorcontrib>FERREIRA, A. G</creatorcontrib><creatorcontrib>LONGO, E</creatorcontrib><creatorcontrib>VARELA, J. A</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Materials Science Collection</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of sol-gel science and technology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>ZAMPIERI, M</au><au>LAZARO, S. R</au><au>PASKOCIMAS, C. A</au><au>FERREIRA, A. G</au><au>LONGO, E</au><au>VARELA, J. A</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations</atitle><jtitle>Journal of sol-gel science and technology</jtitle><date>2006</date><risdate>2006</risdate><volume>37</volume><issue>1</issue><spage>9</spage><epage>17</epage><pages>9-17</pages><issn>0928-0707</issn><eissn>1573-4846</eissn><abstract>Titanium citrate and lead and titanium citrate were prepared by polymeric precursor method in aqueous solution. This citrate was analyzed by 1H, 13C NMR and gHMBC–NMR (Hetero-nuclear multiple-bond correlation) to investigate the formation of the citrate complexs and influence of the Pb2+ ion in this complex. These complexs were characterized by interaction between Ti4+ ion and citric acid carboxyls. Quantum mechanic simulations in level ab initio were used to study the electronic structure and natural charges (NBO) to both the complexs. Such techniques indicated the formation of an octahedral complex with an arrangement similar to Ti atom in the crystalline structure of the PbTiO3. A study using the technique FT-Raman made possible the confirmation of the interaction among the Ti4+ and Pb2+ ions with the citric acid carboxyls.</abstract><cop>Heidelberg</cop><pub>Springer</pub><doi>10.1007/s10971-005-4892-2</doi><tpages>9</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0928-0707 |
| ispartof | Journal of sol-gel science and technology, 2006, Vol.37 (1), p.9-17 |
| issn | 0928-0707 1573-4846 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_29559945 |
| source | SpringerNature Journals |
| subjects | Aqueous solutions Chemistry Citric acid Colloidal gels. Colloidal sols Colloidal state and disperse state Electronic structure Exact sciences and technology General and physical chemistry Lead titanates NMR Nuclear magnetic resonance Prepolymers Quantum mechanics Structural analysis Titanium |
| title | Structural analysis of Ti and Pb citrate using NMR and FT-Raman signals and quantum mechanics simulations |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-17T09%3A50%3A36IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Structural%20analysis%20of%20Ti%20and%20Pb%20citrate%20using%20NMR%20and%20FT-Raman%20signals%20and%20quantum%20mechanics%20simulations&rft.jtitle=Journal%20of%20sol-gel%20science%20and%20technology&rft.au=ZAMPIERI,%20M&rft.date=2006&rft.volume=37&rft.issue=1&rft.spage=9&rft.epage=17&rft.pages=9-17&rft.issn=0928-0707&rft.eissn=1573-4846&rft_id=info:doi/10.1007/s10971-005-4892-2&rft_dat=%3Cproquest_cross%3E2259563588%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=2259563588&rft_id=info:pmid/&rfr_iscdi=true |