Thanks are due for the financial support to Project POCI/QUI/61873/2004 supported by Fundação para a Ciência e Tecnologia (FCT) and by Programa Operacional Ciência e Inovação 2010 (POCI 2010), supported by the European Community Fund FEDER.

FCT (EVALUATION REPORT)

Projecto: POCI/QUI/61873/2004

Título: "Estudo Termodinâmico de polimeros condutores"

Investigador Responsável: Luís Manuel das Neves Belchior Faia dos Santos

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Recomendação do Coordenador  "A - Relatório Final APROVADO"

Comment:

- Os objectivos científicos previstos foram plenamente atingidos.

- Os resultados evidenciam grande qualidade científica, nomeadamente ao nível das publicações em revistas internacionais com referee.

- O projecto contribuiu para a formação de jovens investigadores e para a projecção internacional da equipa envolvida.

Membros do Painel de Avaliação Final de Química e Bioquímica - 2004

José Artur de Sousa Martinho Simões (Coord.) ;

Carlos José Rodrigues Crispim Romão;

José Alberto Nunes Ferreira Gomes;

José Cavaleiro;

José João Galhardas Moura;

Sebastião José Formosinho Sanches Simões.

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Research Project:

"Thermodynamics of Conducting Polymers"

REF.  PROJECT  POCI/QUI/61873/2004

Research team:

Luís Manuel das Neves Belchior Faia dos Santos (Inv. Responsável)

Faculdade de Ciências da Universidade do Porto

Bernd Schröder

Faculdade de Ciências da Universidade do Porto

Lígia Maria da Silva Rebelo Gomes

Univerdade Fernando Pessoa, Porto Portugal

Abstract

The experimental thermodynamic study of (oligomers of conducting polymers) polyheterocyclic compounds derived from phenylene, thiophene, furane and pyridine is proposed. The standard molar enthalpies of formation in the crystalline phase, vapor pressure measurements, heat capacities, enthalpies and entropies of sublimation will be measured experimentally.

DFT calculations and single crystal X-Ray structural characterization will be done on some key compounds in order to evaluate the structural parameters.

Combinatorial synthesis will be used to synthesize some commercially unavailable compounds and a new Micro mass loss Knudsen Effusion system specially designed to work with small sized samples (100 mg) will be constructed and tested.

The systematic energetic study of these compounds will support and improve the currently existing methods for prevision and will contribute to the development of new ones. From our experimental results we expect to contribute to the understanding of energetic correlation involved with the increase of the number and type of aromatic rings.

Pic. 1. Front View of the mini Knudsen apparatus

Pic. 2. Vacuum chamber of the mini Knudsen apparatus

Pic. 3. Real time data acquisition results (LabView) and CAD drawing of the oven and mass detection system

Publications

Papers (P1 ..P10)

P01

 "N,N-Diisobutyl-N'-(2-thienylcarbonyl)thiourea"

 Gomes L. R.,  Santos L. M. N. B. F., Schröder B. ,  Wagner C.;

Acta Crystallographica Section E, E63 (2007) o1158-o1159.

P02

 "2,6-diphenylpyridine"

Rocha MA, Low JN, Gomes LR, Quesada A, Santos LMNBF

ACTA CRYSTALLOGRAPHICA SECTION E, E63 2007, o4833.

P03

"Substituent effects on the energetics and aromaticity of aminomethylbenzoic acids"

Lima, CFRAC., Gomes, LR, Santos, LMNBF 

JOURNAL OF PHYSICAL CHEMISTRY A 111 (42) 2007, 10598-10603.

P04

"Bis[O-propyl N '-(2-thienylcarbonyl)thiocarbamato]nickel(II) "

Gomes LR, Low JN, Schroder B, Santos LMNBF et al.

ACTA CRYSTALLOGRAPHICA SECTION E, E63 2007, M2588.

P05

 "Synthesis, spectroscopy, electrochemical and structural characterization of Cu(II) complexes with asymetric NN'OS coordination spheres"

Pereira E, Gomes LR, Low JN, Castro B

POLYHEDRON 27 2007, 335

P06

"Bis[N,N-diisobutyl-N '-(2-thienylcarbonyl)-thioureat]nickel(II)"

Gomes LR, Santos LMNBF, Schroder B, et al.

ACTA CRYSTALLOGRAPHICA SECTION E E63 2007, M953

P07

Acetato(N-phenylpyridine-2-carboxamidato-k2N,N)(N-phenylpyridine-2-carboxamide-k2N1,O)copper(II)

Gomes L, Low JN, Valente MADC, Freire C, Castro B

ACTA CRYSTALLOGRAPHICA SECTION C C63 2007, m293.

P08

"Bis[N,N-diisobutyl-N '-(2-thienylcarbonyl)-thioureato]copper(II)"

Gomes LR, Santos LMNBF, Schroder B, et al.

ACTA CRYSTALLOGRAPHICA SECTION E E63 2007, M956

P09

"Phase Transition Thermodynamics of Phenyl and Biphenyl Naphthalenes"

Rocha, M. A. A.; Lima, C. F. R. A. C.; Santos, L. M. N. B. F.,

Journal of Chemical Thermodynamics 40 2008, 1458

P10

Crystal structure of 2-thiophenecarboxamide: a one-dimensional tubular structure formed by

N-H ..O hydrogen bonds

Gomes, L. R.; Santos, L. M. N. B. F.; Schröder, B.; Low, J. N.,

Journal of Chemical Crystallography 2008, (submited)

Comunication in Conferences (C1. C8)

C1

Thermochemical Studies on N-thenoylthiocarbamic-O-N-Alkyl Esters ... LINK

 Bernd Schröder, Isabel M. M. Monteiro, Luís M. N. B. F. Santos, Manuel M. A. V. Ribeiro da Silva;

Book o Abstracts of Thermo International 2006, ICCT- International Conference on Chemical Thermodynamics; July 30- August 4, 2006; Boulder - Colorado, USA . Poster in Pag. 336-337.

C2

“Thermodynamic Study of Phenyl and Biphenyl Naphthalenes” ...LINK

Marisa A. A. Rocha, Luís M. N. B. F. Santos

8º ENQF, 8º Encontro Nacional de Química-Física da Sociedade Portuguesa de Química.

Junho de 2007, Luso, Portugal.

C3

 “Synthesis of 1,8-Diarylnaphthalenes by Suzuki-cross coupling” ...LINK

Carlos F. R. A. C. Lima, Marisa A. A. Rocha, Luís M. N. B. F. Santos, José E. Rodriguez-Borges

7º ENQO, 7º Encontro Nacional de Química-Orgânica da Sociedade Portuguesa de Química.

Julho de 2007, Lisboa, Portugal.

C4

“Thermodynamic and Theoretical Study of Diphenylpyridines” ...LINK

Marisa A. A. Rocha, Carlos F. R. A. C. Lima, Lígia R. Gomes, Luís M. N. B. F. Santos

IJUP (Investigação Jovem na Universidade do Porto), 1º Encontro de Jovens Investigadores da Universidade do Porto

Fevereiro de 2008, Porto, Portugal

C5

“Phase Transition Thermodynamics of Poliphenylbenzenes” ...LINK

Carlos F. R. A. C. Lima, Luís M. N. B. F. Santos

ICPOC-2008, 19th IUPAC Conference on Physical Organic Chemistry

Julho de 2008, Santiago de Compostela, Espanha

C6

“Intra-Molecular Aromatic p-p Interactions in Arylnaphthalenes” ...LINK

Carlos F. R. A. C. Lima, L. R. Gomes, José E. Rodriguez-Borges, Luís M. N. B. F. Santos

20^thICCT, 20th International Conference on Chemical Thermodynamics

Agosto de 2008, Varsóvia, Polónia

C7

 “Thermodynamic Study of Diphenylpyridines” ...LINK

Marisa A. A. Rocha, Lígia R. Gomes, Luís M. N. B. F. Santos

20^thICCT, 20th International Conference on Chemical Thermodynamics

Agosto de 2008, Varsóvia, Polónia

C8

“The Volatility of Solid Perfluorocarboxylic Acids” ...LINK

Luís M. N. B. F. Santos, Marisa A. A. Rocha, Manuel J. S. Monte, Lígia R. Gomes, Bernd Schröder, Mara G. Freire, Isabel M. Marrucho, João A. P. Coutinho 18thECTP, 18th European Conference on Thermophysical Properties

Setembro de 2008, Pau, França

Related web sites

Nobel Prize

http://nobelprize.org/nobel_prizes/chemistry/laureates/2000/illpres/4.html

WIKIpedia

http://en.wikipedia.org/wiki/Conductive_polymers

IBM ...Conducting polymers in microelectronics

http://www.research.ibm.com/journal/rd/451/angelopoulos.html

List of TOP 25 papers on conducting polymers

http://esi-topics.com/conducting-polymers/papers/a1.html

Handbook of Conducting Polymers, 2nd Ed.
http://romano.physics.wisc.edu/winokur/handbook/draft.html

Sigma Aldrich TUTORIAL

http://www.sigmaaldrich.com/materials-science/organic-electronics/tutorial.html

Supported by:

Fundação para a Ciência e Tecnologia (FCT)

Programa Operacional Ciência e Inovação 2010 (POCI 2010),

The European Community Fund FEDER.