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Alexandra Ioana Bucur

- INSTITUTUL NATIONAL DE CERCETARE-DEZVOLTARE PENTRU ELECTROCHIMIE SI MATERIE CONDENSATA - INCEMC TIMISOARA

Researcher

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Expertise & keywords

Influence of the physicochemical and structural properties on catalytic activity of phosphonates metal organic frameworks with environmental impact Call name: Projects for Young Research Teams - RUTE -2014 call
PN-II-RU-TE-2014-4-1398 2015 - 2017

Role in this project:

Coordinating institution: INSTITUTUL DE CHIMIE

Project partners: INSTITUTUL DE CHIMIE

Affiliation: INSTITUTUL DE CHIMIE

Project website: http://acad-icht.tm.edu.ro/granturi/PHOSPHONATE-MOF.html

Abstract:

The project main objective is to perform researches based on combination of the new structural and synthetic concepts of phosphonates metal organic frameworks for the development and characterization of some new catalytic, gas storage or absorption materials with specific properties, better than conventional materials used in environmental protection. The proposed research presents both scientifically and technically interest. Structurally, the project follows 24 months and it is approaching two distinct phases: synthesis and structural characterization phase following the first 12 months and the applicative phase in the last 12 months of this proposal.
During the first phase, the methodology is initially developed using hydrothermal conditions reaction. Phosphonate metal organic frameworks formation depends on numerous synthetic parameters related to the reaction conditions: temperature, time, reactant molar ratio, pH, pressure. The characterization of resulting phosphonate metal organic framework will be performed by modern methods using the existing and relevant infrastructure (X-ray diffraction, FTIR, TGA, DSC) equipments.
The approach developed in project’s first phase including results form synthesis and characterizations will be applied in the second stage of the project, namely catalytic properties using on methylation, oxidation or etherification reactions, gas storage using 129Xe-NMR measurements or absorption of hazardous materials with environmental impact.

PHOSPHONATE METAL ORGANIC FRAMEWORKS: COMPLEXITY AND DIVERSITY IN STRUCTURES AND APPLICATIONS Call name: Projects for Young Research Teams - TE-2011 call
PN-II-RU-TE-2011-3-0092 2011 - 2014

Role in this project:

Coordinating institution: Institutul de Chimie Timisoara al Academiei Romane, Departamentul de Chimie Organica

Project partners: INSTITUTUL DE CHIMIE TIMISOARA AL ACADEMIEI ROMANE

Affiliation:

Project website: http://acad-icht.tm.edu.ro/granturi/visa81.htm

Abstract:

Research on phosphonates metal organic frameworks (MOF) has attracted enormous attention during the last two decades due to their fascinating network topology, structural flexibility and multiple special properties. Most of the phosphonates metal organic frameworks have a layered supramolecular structure in which the metal centers are bridged by the phosphonate group, although a variety of 1D chain, 2D layer, and 3D network with micropores, among which the 2D layer is the most common structural type.
In the framework of the project, we are planning to perform researches on two main directions.
• The first direction consists in the following objectives: synthesis, structural and textural characterization and quantochemical analyses of phosphonates metal organic frameworks. In order to predict the special properties (electrical properties, conductivity) and to compare calculated and experimental geometric properties, quantochemical calculations will be perform using RX geometries as starting models. The LUMO-HOMO energetic difference is a very good indication of the electric properties of these compounds.
• The main motivation of this project is the second direction of this research, namely potential: application of phosphonates metal organic frameworks as semiconductors, environmental sensors and actuators, chemo and biosensors, rechargeable batteries, solar cells or gas-liquid separation membranes.

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