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Synthesis, Structure Study, First-Principles Investigations and Luminescence Properties of Europium and Terbium Complexes.
Ali, Bakhat; Stefani, Helio A; Imran, Muhammad; Irfan, Ahmad; Assiri, Mohammed A; Felinto, Maria Claudia F C; Khalid, Muhammad; Al-Sehemi, Abdullah G.
Afiliação
  • Ali B; Departamento de Farmácia, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, São Paulo, SP, Brazil. bakhatali@gmail.com.
  • Stefani HA; Department of Chemistry, Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, 64200, Pakistan. bakhatali@gmail.com.
  • Imran M; Departamento de Farmácia, Faculdade de Ciências Farmacêuticas, Universidade de São Paulo, São Paulo, SP, Brazil.
  • Irfan A; Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia. imranchemist@gmail.com.
  • Assiri MA; Department of Chemistry, Ghazi University Dera Ghazi Khan, Dera Ghazi Khan, Pakistan. imranchemist@gmail.com.
  • Felinto MCFC; Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
  • Khalid M; Research Center for Advanced Materials Science (RCAMS), King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
  • Al-Sehemi AG; Department of Chemistry, Faculty of Science, King Khalid University, P.O. Box 9004, Abha, 61413, Saudi Arabia.
J Fluoresc ; 30(6): 1345-1355, 2020 Dec.
Article em En | MEDLINE | ID: mdl-32870456
The synthesis of 1-benzyl-2-((2-Aminoethyl) amino)-5-oxopyrrolidine-3,4-diyl diacetate (boad), an oxopyrrolidine type ligand; designed to coordinate lanthanides (Eu3+ and Tb3+) to get luminescent material. The target complexes showed good photoluminescence properties, which indicate that this type of compound can be used as sensitizers having luminescence for the green (Tb3+) and red (Eu3+) emission. The obtained results revealed that sensitizer efficiency can be improved by adding ligands like acac (Eu(acac)3, which has also enhanced the luminescence quantum output and period for Eu3+ ions. The ground state geometries were developed by using density functional theory at B3LYP/6-31G** level. The charge transfer analysis and electronic properties were performed. The Europium and Terbium complexes formation with boad ligand was explored based on molecular electrostatic potential, MDC-q charges, and frontier molecular orbitals (FMOs) analysis.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Fluoresc Assunto da revista: BIOFISICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Holanda
Texto completo
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XML
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Fluoresc Assunto da revista: BIOFISICA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Brasil País de publicação: Holanda