Síntese e análise estrutural de compostos supramoleculares de Cd(II) com o ligante 4,6-dimetilpirimidina-2-tiona

Detalhes bibliográficos
Ano de defesa: 2004
Autor(a) principal: Casagrande, Gleison Antonio lattes
Orientador(a): Lang, Ernesto Schulz lattes
Banca de defesa: Fenner, Herton, Oliveira, Gelson N. Manzoni de
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Santa Maria
Centro de Ciências Naturais e Exatas
Programa de Pós-Graduação: Programa de Pós-Graduação em Química
Departamento: Química
País: Brasil
Palavras-chave em Português:
Química
Química inorgânica
Área do conhecimento CNPq:
CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA
Link de acesso: 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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spelling 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:1/26737TElDRU7Dh0EgREUgRElTVFJJQlVJw4fDg08gTsODTy1FWENMVVNJVkEKCkNvbSBhIGFwcmVzZW50YcOnw6NvIGRlc3RhIGxpY2Vuw6dhLCB2b2PDqiAobyBhdXRvciAoZXMpIG91IG8gdGl0dWxhciBkb3MgZGlyZWl0b3MgZGUgYXV0b3IpIGNvbmNlZGUgw6AgVW5pdmVyc2lkYWRlCkZlZGVyYWwgZGUgU2FudGEgTWFyaWEgKFVGU00pIG8gZGlyZWl0byBuw6NvLWV4Y2x1c2l2byBkZSByZXByb2R1emlyLCAgdHJhZHV6aXIgKGNvbmZvcm1lIGRlZmluaWRvIGFiYWl4byksIGUvb3UKZGlzdHJpYnVpciBhIHN1YSB0ZXNlIG91IGRpc3NlcnRhw6fDo28gKGluY2x1aW5kbyBvIHJlc3VtbykgcG9yIHRvZG8gbyBtdW5kbyBubyBmb3JtYXRvIGltcHJlc3NvIGUgZWxldHLDtG5pY28gZQplbSBxdWFscXVlciBtZWlvLCBpbmNsdWluZG8gb3MgZm9ybWF0b3Mgw6F1ZGlvIG91IHbDrWRlby4KClZvY8OqIGNvbmNvcmRhIHF1ZSBhIFVGU00gcG9kZSwgc2VtIGFsdGVyYXIgbyBjb250ZcO6ZG8sIHRyYW5zcG9yIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbwpwYXJhIHF1YWxxdWVyIG1laW8gb3UgZm9ybWF0byBwYXJhIGZpbnMgZGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIHRhbWLDqW0gY29uY29yZGEgcXVlIGEgVUZTTSBwb2RlIG1hbnRlciBtYWlzIGRlIHVtYSBjw7NwaWEgYSBzdWEgdGVzZSBvdQpkaXNzZXJ0YcOnw6NvIHBhcmEgZmlucyBkZSBzZWd1cmFuw6dhLCBiYWNrLXVwIGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIGRlY2xhcmEgcXVlIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyDDqSBvcmlnaW5hbCBlIHF1ZSB2b2PDqiB0ZW0gbyBwb2RlciBkZSBjb25jZWRlciBvcyBkaXJlaXRvcyBjb250aWRvcwpuZXN0YSBsaWNlbsOnYS4gVm9jw6ogdGFtYsOpbSBkZWNsYXJhIHF1ZSBvIGRlcMOzc2l0byBkYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvIG7Do28sIHF1ZSBzZWphIGRlIHNldQpjb25oZWNpbWVudG8sIGluZnJpbmdlIGRpcmVpdG9zIGF1dG9yYWlzIGRlIG5pbmd1w6ltLgoKQ2FzbyBhIHN1YSB0ZXNlIG91IGRpc3NlcnRhw6fDo28gY29udGVuaGEgbWF0ZXJpYWwgcXVlIHZvY8OqIG7Do28gcG9zc3VpIGEgdGl0dWxhcmlkYWRlIGRvcyBkaXJlaXRvcyBhdXRvcmFpcywgdm9jw6oKZGVjbGFyYSBxdWUgb2J0ZXZlIGEgcGVybWlzc8OjbyBpcnJlc3RyaXRhIGRvIGRldGVudG9yIGRvcyBkaXJlaXRvcyBhdXRvcmFpcyBwYXJhIGNvbmNlZGVyIMOgIFVGU00Kb3MgZGlyZWl0b3MgYXByZXNlbnRhZG9zIG5lc3RhIGxpY2Vuw6dhLCBlIHF1ZSBlc3NlIG1hdGVyaWFsIGRlIHByb3ByaWVkYWRlIGRlIHRlcmNlaXJvcyBlc3TDoSBjbGFyYW1lbnRlCmlkZW50aWZpY2FkbyBlIHJlY29uaGVjaWRvIG5vIHRleHRvIG91IG5vIGNvbnRlw7pkbyBkYSB0ZXNlIG91IGRpc3NlcnRhw6fDo28gb3JhIGRlcG9zaXRhZGEuCgpDQVNPIEEgVEVTRSBPVSBESVNTRVJUQcOHw4NPIE9SQSBERVBPU0lUQURBIFRFTkhBIFNJRE8gUkVTVUxUQURPIERFIFVNIFBBVFJPQ8ONTklPIE9VCkFQT0lPIERFIFVNQSBBR8OKTkNJQSBERSBGT01FTlRPIE9VIE9VVFJPIE9SR0FOSVNNTyBRVUUgTsODTyBTRUpBIEEgVUZTTQosIFZPQ8OKIERFQ0xBUkEgUVVFIFJFU1BFSVRPVSBUT0RPUyBFIFFVQUlTUVVFUiBESVJFSVRPUyBERSBSRVZJU8ODTyBDT01PClRBTULDiU0gQVMgREVNQUlTIE9CUklHQcOHw5VFUyBFWElHSURBUyBQT1IgQ09OVFJBVE8gT1UgQUNPUkRPLgoKQSBVRlNNIHNlIGNvbXByb21ldGUgYSBpZGVudGlmaWNhciBjbGFyYW1lbnRlIG8gc2V1IG5vbWUgKHMpIG91IG8ocykgbm9tZShzKSBkbyhzKQpkZXRlbnRvcihlcykgZG9zIGRpcmVpdG9zIGF1dG9yYWlzIGRhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbywgZSBuw6NvIGZhcsOhIHF1YWxxdWVyIGFsdGVyYcOnw6NvLCBhbMOpbSBkYXF1ZWxhcwpjb25jZWRpZGFzIHBvciBlc3RhIGxpY2Vuw6dhLgoKBiblioteca 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
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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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dc.relation.authority.fl_str_mv 0c9d7568-d5c4-466d-b807-0125a7d37b97
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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
rights_invalid_str_mv 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
dc.publisher.country.fl_str_mv 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 reponame:Biblioteca Digital de Teses e Dissertações do UFSM
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