NANOFUNC

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NANOFUNC

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NANOFUNC

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NANOFUNC

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Text Box: Authority:

UNIVERSITY POLITEHNICAL BUCURESTI, Industrial Chemistry Faculty
Program MATNANTECH


Contractor:

NATIONAL INSTITUTE FOR RESEARCH AND DEVELOPMENT OF ISOTOPIC AND MOLECULAR TECHNOLOGIES

Rounded Rectangle: FUNCTIONALIZED NANOSTRUCTURES BASED ON CONJUGATED POLYMERS AND THEIR NANOCOMPOSITES
NANOFUNC
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       Results

             Our efforts were focused on the chemical polymerisation method of copolymers using pyrrole and 3-(1-pyrrolyl)-propanoic acid (NPy) units. The propanoic acid side chains can induce specific properties to the copolymers such as increased solubility or acidity at one side and it can be also useful as functional tools in subsequent chemical transformations, at the other side. Here we report on the synthesis and investigation of copolymer materials prepared by chemical polymerisation from solutions containing a binary mixture of the two different monomeric pyrrole species.

The molecular structure and conformational behaviour of some substituted oligopyrroles have been determined by ab initio and Density Functional Theory (DFT) methods using the 6-13 G basis set.

 

 

 

 

 

 

 

 


 

 

 

 

In order to understand the new phenomena and novel structures related to functionalized polypyrrole geometrical and electronic structures of functionalized polypyrrole will be studied. Computational Method the calculations were carried out in Cluj-Napoca on an AMD Opteron cluster running under Linux. The standard B3LYP energies were performed by the Gaussian 03 computer code [5]. The geometry optimization of monomer and one dimensional polymer chain structures of N-PPy-co and 3-PPy-co conformations has been taken using Pople’s 6-311G** basis set.

  4-Oxo-4(1H-pyrrol-3-yl)butanoic acid (3-Py)

    3-(1-pyrrolyl)-propanoic acid (N-Py)

Synthesis of 3-(1-pyrrolyl)-propanoic acid (N-Py) and  4-Oxo-4(1H-pyrrol-3-yl)butanoic acid (3-Py) was accomplished using the follow procedure:

Pyrrole copolymers were prepared by chemical oxidation of the monomers in aqueous solution  We performed the copolymerisation in the absence or in the presence of a dopant (dodecybenzensulfonic acid)

A comparisons of intensities of IR-adsorption data obtained by FT-IR spectroscopy. In addition, characterization of these materials was performed by scanning electron microscopy (SEM), NMR spectroscopy and MALDI mass spectrometry.

 

 

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