Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona
Autor(a) principal: | |
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Data de Publicação: | 2004 |
Tipo de documento: | Dissertação |
Idioma: | por |
Título da fonte: | Biblioteca Digital de Teses e Dissertações do UFSM |
Texto Completo: | http://repositorio.ufsm.br/handle/1/26737 |
Resumo: | This dissertation describes the synthesis and analysis of the supramolecular compounds α- and β-[Cd(DMPYMT-S)2]n, DMPYMT-S = 4,6-dimethylpyrimidine-2- thione. The reaction product of cadmium acetate dihydrate with DMPYMT-S was dissolved in hot ethanol with a small quantity of DMSO or ammonium diethyldithiophosphate. Gradual evaporation of the solvent gave the crystallization products (1) or (2), respectively. Single crystal X-ray structural analysis for both products was carried out. Compound (1), solved and refined in the space group P21/c, shows a supramolecular structure formed by μ2-S–Cd secondary bonds parallel to the crystallographic a axis. Compound (2), solved and refined in the space group Pca21, possesses μ2-S–Cd and Npyrimidine–Cd secondary bonds to form a zig-zag supramolecular structure parallel to the crystallographic b axis. The Cd(II) atom in each structure is sp3 d2 hybridized with an octahedral geometry for (1) and a distorted octahedral geometry for (2). The structural control in the formation of the supramolecular compounds α- and β- [Cd(DYPYMT-S)2] is achieved by the use of complexing agents acting as coligands in the solubilization and crystallization processes. For the two compounds, the results of the C, H and N elemental analysis and infrared vibrational spectroscopy are included. |
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2022-11-01T19:49:20Z2022-11-01T19:49:20Z2004-03http://repositorio.ufsm.br/handle/1/26737This dissertation describes the synthesis and analysis of the supramolecular compounds α- and β-[Cd(DMPYMT-S)2]n, DMPYMT-S = 4,6-dimethylpyrimidine-2- thione. The reaction product of cadmium acetate dihydrate with DMPYMT-S was dissolved in hot ethanol with a small quantity of DMSO or ammonium diethyldithiophosphate. Gradual evaporation of the solvent gave the crystallization products (1) or (2), respectively. Single crystal X-ray structural analysis for both products was carried out. Compound (1), solved and refined in the space group P21/c, shows a supramolecular structure formed by μ2-S–Cd secondary bonds parallel to the crystallographic a axis. Compound (2), solved and refined in the space group Pca21, possesses μ2-S–Cd and Npyrimidine–Cd secondary bonds to form a zig-zag supramolecular structure parallel to the crystallographic b axis. The Cd(II) atom in each structure is sp3 d2 hybridized with an octahedral geometry for (1) and a distorted octahedral geometry for (2). The structural control in the formation of the supramolecular compounds α- and β- [Cd(DYPYMT-S)2] is achieved by the use of complexing agents acting as coligands in the solubilization and crystallization processes. For the two compounds, the results of the C, H and N elemental analysis and infrared vibrational spectroscopy are included.Nesta dissertação descreve-se a síntese e análise estrutural dos compostos supramoleculares α- e β-[Cd(DMPYMT-S)2]n com ( DMPYMT-SH = 4,6- dimetilpirimidina-2-tiona ). O produto da reação de 4,6-dimetilpirimidina-2-tiona com acetato de cádmio(II) dihidratado, é dissolvido em etanol a quente com o auxilio de DMSO e de dietilditiofosfato de amônio dando como produto de cristalização os compostos (1) e (2) respectivamente. A análise estrutural por difração de raios-x, indexa ao composto (1), o grupo espacial P21/c, e revela uma estrutura supramolecular estendida ao longo do eixo cristalográfico a, e um grupo espacial Pca21, com uma estrutura supramolecular em zig-zag estendida ao longo do eixo cristalográfico b para o composto (2). As unidades mínimas [Cd(DMPYMT-S)2] estão unidas por sucessivas ligações secundárias intermoleculares μ2-S-Cd para o composto (1), por sucessivas ligações secundárias intermoleculares μ2-S-Cd e Nanel-Cd(II) para o composto (2). O átomo de cádmio (II) possui hibridização sp3 d2 , com geometria de coordenação octaédrica para (1), e octaédrica distorcida para (2). Observa-se o direcionamento e o controle estrutural dos compostos supramoleculares α- e β-[Cd(DMPYMT-S)2]n , obtidos, pelo uso de agentes complexantes atuando como cooligantes auxiliares no processo de solubilização e cristalização. Para os dois compostos incluem-se os resultados de análise elementar de C, H, N e de espectroscopia vibracional de infravermelho.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPESporUniversidade Federal de Santa MariaCentro de Ciências Naturais e ExatasPrograma de Pós-Graduação em QuímicaUFSMBrasilQuímicaAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessQuímicaQuímica inorgânicaCNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICASíntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tionaSynthesis and analysis of supramolecular compounds of Cd(II) with 4,6- dimethylpyrimidine-2-tione ligand.info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisLang, Ernesto Schulzhttp://lattes.cnpq.br/4481982189769819Fenner, HertonOliveira, Gelson N. Manzoni dehttp://lattes.cnpq.br/2603433458436438Casagrande, Gleison Antonio1006000000006000c9d7568-d5c4-466d-b807-0125a7d37b97cdc0bab1-f059-4c99-a9f0-b62c32985246374bc251-12cc-4196-b6f8-29c1de4bda1cc8955a44-cbd7-4ec6-a4a9-bdf3fdc97dfcreponame:Biblioteca Digital de Teses e Dissertações do UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSMLICENSElicense.txtlicense.txttext/plain; charset=utf-81956http://repositorio.ufsm.br/bitstream/1/26737/3/license.txt2f0571ecee68693bd5cd3f17c1e075dfMD53ORIGINALDIS_PPGQUÍMICA_2004_CASAGRANDE_GLEISON.pdfDIS_PPGQUÍMICA_2004_CASAGRANDE_GLEISON.pdfDissertação de Mestradoapplication/pdf989031http://repositorio.ufsm.br/bitstream/1/26737/1/DIS_PPGQU%c3%8dMICA_2004_CASAGRANDE_GLEISON.pdf9d0f0700f4f028d4877f369fa5a9a478MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8805http://repositorio.ufsm.br/bitstream/1/26737/2/license_rdf4460e5956bc1d1639be9ae6146a50347MD521/267372022-11-01 16:49:20.567oai:repositorio.ufsm.br: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 Digital de Teses e Dissertaçõeshttps://repositorio.ufsm.br/ONGhttps://repositorio.ufsm.br/oai/requestatendimento.sib@ufsm.br||tedebc@gmail.comopendoar:2022-11-01T19:49:20Biblioteca Digital de Teses e Dissertações do UFSM - Universidade Federal de Santa Maria (UFSM)false |
dc.title.por.fl_str_mv |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
dc.title.alternative.eng.fl_str_mv |
Synthesis and analysis of supramolecular compounds of Cd(II) with 4,6- dimethylpyrimidine-2-tione ligand. |
title |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
spellingShingle |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona Casagrande, Gleison Antonio Química Química inorgânica CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
title_full |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
title_fullStr |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
title_full_unstemmed |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
title_sort |
Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona |
author |
Casagrande, Gleison Antonio |
author_facet |
Casagrande, Gleison Antonio |
author_role |
author |
dc.contributor.advisor1.fl_str_mv |
Lang, Ernesto Schulz |
dc.contributor.advisor1Lattes.fl_str_mv |
http://lattes.cnpq.br/4481982189769819 |
dc.contributor.referee1.fl_str_mv |
Fenner, Herton |
dc.contributor.referee2.fl_str_mv |
Oliveira, Gelson N. Manzoni de |
dc.contributor.authorLattes.fl_str_mv |
http://lattes.cnpq.br/2603433458436438 |
dc.contributor.author.fl_str_mv |
Casagrande, Gleison Antonio |
contributor_str_mv |
Lang, Ernesto Schulz Fenner, Herton Oliveira, Gelson N. Manzoni de |
dc.subject.por.fl_str_mv |
Química Química inorgânica |
topic |
Química Química inorgânica CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.cnpq.fl_str_mv |
CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
This dissertation describes the synthesis and analysis of the supramolecular compounds α- and β-[Cd(DMPYMT-S)2]n, DMPYMT-S = 4,6-dimethylpyrimidine-2- thione. The reaction product of cadmium acetate dihydrate with DMPYMT-S was dissolved in hot ethanol with a small quantity of DMSO or ammonium diethyldithiophosphate. Gradual evaporation of the solvent gave the crystallization products (1) or (2), respectively. Single crystal X-ray structural analysis for both products was carried out. Compound (1), solved and refined in the space group P21/c, shows a supramolecular structure formed by μ2-S–Cd secondary bonds parallel to the crystallographic a axis. Compound (2), solved and refined in the space group Pca21, possesses μ2-S–Cd and Npyrimidine–Cd secondary bonds to form a zig-zag supramolecular structure parallel to the crystallographic b axis. The Cd(II) atom in each structure is sp3 d2 hybridized with an octahedral geometry for (1) and a distorted octahedral geometry for (2). The structural control in the formation of the supramolecular compounds α- and β- [Cd(DYPYMT-S)2] is achieved by the use of complexing agents acting as coligands in the solubilization and crystallization processes. For the two compounds, the results of the C, H and N elemental analysis and infrared vibrational spectroscopy are included. |
publishDate |
2004 |
dc.date.issued.fl_str_mv |
2004-03 |
dc.date.accessioned.fl_str_mv |
2022-11-01T19:49:20Z |
dc.date.available.fl_str_mv |
2022-11-01T19:49:20Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/masterThesis |
format |
masterThesis |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://repositorio.ufsm.br/handle/1/26737 |
url |
http://repositorio.ufsm.br/handle/1/26737 |
dc.language.iso.fl_str_mv |
por |
language |
por |
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100600000000 |
dc.relation.confidence.fl_str_mv |
600 |
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dc.rights.driver.fl_str_mv |
Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess |
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Attribution-NonCommercial-NoDerivatives 4.0 International http://creativecommons.org/licenses/by-nc-nd/4.0/ |
eu_rights_str_mv |
openAccess |
dc.publisher.none.fl_str_mv |
Universidade Federal de Santa Maria Centro de Ciências Naturais e Exatas |
dc.publisher.program.fl_str_mv |
Programa de Pós-Graduação em Química |
dc.publisher.initials.fl_str_mv |
UFSM |
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Brasil |
dc.publisher.department.fl_str_mv |
Química |
publisher.none.fl_str_mv |
Universidade Federal de Santa Maria Centro de Ciências Naturais e Exatas |
dc.source.none.fl_str_mv |
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