Poly(2-acrylamido glycolic acid-co-acryloyl morpholine) and poly(2-acrylamido glycolic acid-co-acrylamide): Synthesis, characterization, and retention properties for environmentally impacting metal ions

2008 ◽  
Vol 44 (2) ◽  
pp. 523-533 ◽  
Author(s):  
Bernabé L. Rivas ◽  
Antonio Maureira
Keyword(s):  

The complexation between Poly glycolic acid (PGA) and alkali metal ions (Na+ , K+ ) have been studied using B3LYP/6-311++G** method. The binding site of metal ion interaction on PGA is carbonyl oxygen. Both metal ions form bidendate complexation with PGA. Further, it can be noted that the PGA with K+ complex is more stable than the PGA with Na+ complex. The binding affinities (ΔH), basicity (ΔG) and the complexation entropies (ΔS) of all the studied systems are calculated. The interaction energy is maximum in PGA-Na+ than the PGA-K + complex. This is due to more charge transfer taking place between PGA and Na. The stability of the complex is studied by the chemical hardness value. The condensed Fukui functions are calculated and are used to predict the favourable reactive site


2017 ◽  
Vol 130 (3) ◽  
pp. 1463-1472 ◽  
Author(s):  
A. L. C. S. do Nascimento ◽  
J. A. Teixeira ◽  
W. D. G. Nunes ◽  
D. J. C. Gomes ◽  
C. Gaglieri ◽  
...  

Author(s):  
R. Ai ◽  
H.-J. Fan ◽  
L. D. Marks

It has been known for a long time that electron irradiation induces damage in maximal valence transition metal oxides such as TiO2, V2O5, and WO3, of which transition metal ions have an empty d-shell. This type of damage is excited by electronic transition and can be explained by the Knoteck-Feibelman mechanism (K-F mechanism). Although the K-F mechanism predicts that no damage should occur in transition metal oxides of which the transition metal ions have a partially filled d-shell, namely submaximal valence transition metal oxides, our recent study on ReO3 shows that submaximal valence transition metal oxides undergo damage during electron irradiation.ReO3 has a nearly cubic structure and contains a single unit in its cell: a = 3.73 Å, and α = 89°34'. TEM specimens were prepared by depositing dry powders onto a holey carbon film supported on a copper grid. Specimens were examined in Hitachi H-9000 and UHV H-9000 electron microscopes both operated at 300 keV accelerating voltage. The electron beam flux was maintained at about 10 A/cm2 during the observation.


Author(s):  
Hiroki Kurata ◽  
Kazuhiro Nagai ◽  
Seiji Isoda ◽  
Takashi Kobayashi

Electron energy loss spectra of transition metal oxides, which show various fine structures in inner shell edges, have been extensively studied. These structures and their positions are related to the oxidation state of metal ions. In this sence an influence of anions coordinated with the metal ions is very interesting. In the present work, we have investigated the energy loss near-edge structures (ELNES) of some iron compounds, i.e. oxides, chlorides, fluorides and potassium cyanides. In these compounds, Fe ions (Fe2+ or Fe3+) are octahedrally surrounded by six ligand anions and this means that the local symmetry around each iron is almost isotropic.EELS spectra were obtained using a JEM-2000FX with a Gatan Model-666 PEELS. The energy resolution was about leV which was mainly due to the energy spread of LaB6 -filament. The threshole energies of each edges were measured using a voltage scan module which was calibrated by setting the Ni L3 peak in NiO to an energy value of 853 eV.


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