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http://hdl.handle.net/10773/20333
Title: | Coordination polymers based on a glycine-derivative ligand |
Author: | Vilela, Sergio M. F. Ananias, Duarte Silva, Patricia Nolasco, Mariela Carlos, Luis D. Bermudez, Veronica de Zea Rocha, Joao Tome, Joao P. C. Almeida Paz, Filipe A. |
Keywords: | METAL-ORGANIC FRAMEWORKS CAMBRIDGE STRUCTURAL DATABASE GRAPH-SET ANALYSIS AMINO-ACID NANOPOROUS MATERIALS MAGNETIC-PROPERTIES CRYSTAL-STRUCTURES ROOM-TEMPERATURE PROTON-TRANSFER EXCITED-STATES |
Issue Date: | 2014 |
Publisher: | ROYAL SOC CHEMISTRY |
Abstract: | The combination of the glycine-derivative supramolecular salt 4,6-bis(carboxymethylamino)-2-oxo-2,3-dihydro-1,3,5-triazin-1-ium chloride (H(2)bodt center dot HCl) and lanthanide(III) chloride hydrates under hydrothermal conditions (120 degrees C, 48 h) led to the formation of a family of isotypical materials formulated as [Ln(bodt)(Hbodt)] [where Ln(3+) = La3+ (1), (La0.95Eu0.05)(3+) (2) and (La0.95Tb0.05)(3+) (3)]. The synthesis of the novel precursor H(2)bodt center dot HCl is detailed. The structures of H(2)bodt center dot HCl and its intermediate compound were unveiled by single-crystal X-ray diffraction and characterized by standard liquid-state techniques. The crystallographic details of compound 1 were unveiled in the monoclinic P2/c space group by using single-crystal X-ray diffraction, with the crystal structure of 1 comprising a one-dimensional (1)(infinity)[La(bodt)(Hbodt)] coordination polymer. All polymeric materials were fully characterized by FT-IR, electron microscopy (SEM and EDS), powder X-ray diffraction, and elemental and thermogravimetric analyses. The photoluminescent properties of 1 and of the mixed-lanthanide materials 2 and 3 were investigated at ambient and low temperatures. An excited-state intermolecular proton transfer (ESPT) process, induced by intermolecular hydrogen-bonding interactions, is proposed to account for the observed anomalous emission and excitation spectra of 1. Aiming at providing an in-depth understanding of the emission (fluorescence and phosphorescence) properties of the ligand, time-dependent density functional theory (TD-DFT) calculations were also performed. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/20333 |
DOI: | 10.1039/c4ce00465e |
ISSN: | 1466-8033 |
Publisher Version: | 10.1039/c4ce00465e |
Appears in Collections: | CICECO - Artigos |
Files in This Item:
File | Description | Size | Format | |
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Coordination polymers based on a glycine-derivative ligand_10.1039c4ce00465e.pdf | 13.48 MB | Adobe PDF |
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