Juan T. López Navarrete

University of Asia and the Pacific

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Juan Casado

Universidad de Málaga

269

V. Hernández

Hartnell College

167

M. Carmen Ruiz Delgado

Universidad de Málaga

115

F. RAMIREZ

Universidad de Málaga

Rocío Ponce Ortiz

Universidad de Málaga

Paula Mayorga Burrezo

Institut de Ciència de Materials de Barcelona

Belén Nieto‐Ortega

Madrid Institute for Advanced Studies

María Moreno Oliva

Universidad de Málaga

J. Orduna

Universidad de Zaragoza

Ted M. Pappenfus

University of Minnesota Morris

Cooperative Institutions

Universidad de Málaga

140

Centre National de la Recherche Scientifique

Consejo Superior de Investigaciones Científicas

Universidad Complutense de Madrid

Northwestern University

Universidad Autónoma de Madrid

Universidad de Zaragoza

University of Castilla-La Mancha

Chinese Academy of Sciences

Universitat de València

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Spectroelectrochemical Raman Study of Two End-Capped Sexithiophenes with Applications as Electroactive Molecular Materials

The Journal of Physical Chemistry B (2002)

Juan Casado Howard E. Katz V. Hernández Juan T. López Navarrete

In this paper, the vibrational Fourier transform Raman spectra of two sexithiophenes with the end α-positions substituted with n-hexyl or n-thiohexyl groups are studied. We investigate the effects of the different side chains on the intramolecular π-electron delocalization in neutral state and the charged defects generated upon p-doping. Density functional theory and ab initio quantum-chemical calculations are performed on various oligothiophene model compounds as an aid in the interpretation of the experimental data. The analysis of the peculiar Raman features of these π-conjugated systems has been guided by formalism of the effective conjugation coordinate theory. The Raman study of this class of materials is a powerful tool to derive information about the delocalization of π-electrons in the pristine state and the charged species upon doping.

Electron localization function

Radical ion

Formalism (music)

10.1021/jp013028l

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Citations (38)

Ab initio self-consistent reaction field calculations on amino acids: asparagine zwitterions in polar medium and gas phase

Theoretical Chemistry Accounts (1997)

Juan T. López Navarrete Juan Casado V. Hernández F. RAMIREZ

Force Field

Chemical polarity

Energy minimization

10.1007/s002140050272

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Citations (10)

Chain flexibility in polyheteroaromatic polymers part I. Electronic properties, structure and vibrational spectra of oligomers as models of polypyrrole and polythiophene

Synthetic Metals (1990)

Juan T. López Navarrete B. Tian G. Zerbi

Polythiophene

Pyrrole

Quantum Chemistry

Quantum chemical

Polypyrrole

10.1016/0379-6779(90)90083-w

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Citations (56)

Delocalization length, electronic properties and vibrational spectra of neutral α,α′ -dimethyl end-capped oligothiophenes

Synthetic Metals (1996)

V. Hernández Juan Casado F. RAMIREZ Gianni Zotti Shu Hotta

Internal Rotation

10.1016/0379-6779(95)03470-5

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Citations (16)

D–A–D 2H-benzo[d][1,2,3]triazole derivatives as p-type semiconductors in organic field-effect transistors

RSC Advances (2018)

Iván Torres‐Moya Iratxe Arrechea‐Marcos Carlos Tardío José R. Carrillo Ángel Díaz‐Ortiz

A series of Donor-π-Acceptor-π-Donor compounds based on a 2H-benzo[d][1,2,3]triazole core branched with different alkynyl donor groups has been characterized and tested in organic field-effect transistors (OFETs). The electronic and molecular structures were elucidated through optical and vibrational spectroscopy in conjunction with DFT calculations. The results indicate that the planarity of the structure and the good intramolecular charge transfer from the electron-donating to the electron-withdrawing fragments play a critical role in the application of the compounds as semiconductors in OFET devices. The compounds were tested in a top-contact/bottom-gate thin film transistor architecture, and they behave as p-type semiconductors.

Organic field-effect transistor

Planarity testing

Organic semiconductor

10.1039/c8ra03246g

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Citations (15)

pi-Dimerization of Oligothienoacene Radical Cations

María del Carmen Ruíz-Delgado Cristina Capel-Ferrón Marçal Capdevila‐Cortada Juan J. Novoa František Hartl

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Estudio y Conservación del Patrimonio Cultural - Actas

María Moreno Oliva Miguel A. Rogerio Candelera Juan T. López Navarrete Víctor Hernández-Jolín

200 paginas.-- Libro de Actas del Congreso: Estudio y Conservacion del Patrimonio Cultural. Celebrado del16-19 de noviembre 2015, Malaga

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Donor-acceptor polymers for applications in organic electronics and photovoltaics

Rocio Ponce-Ortiz Paula Mayorga Burrezo Juan Casado-Cordon Juan T. López Navarrete Xugang Guo

Organic Electronics

Acceptor

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Tuning First Molecular Hyperpolarizabilities through the Use of Proaromatic Spacers

Journal of the American Chemical Society (2005)

Raquel Andreu María‐Jesús Blesa Laura Carrasquer Javier Garı́n J. Orduna

In this paper, we describe the second-order nonlinear optical properties of a series of 1,3-dithiole-based electron donor−acceptor systems incorporating proaromatic donor and spacer groups. Modification of the proaromaticity of the quinoid spacer gives rise to NLO-phores with μβ values ranging from −2000 × 10-48 esu to +3000 × 10-48 esu. Quite surprisingly, compounds with a p-benzoquinoid spacer and a strong acceptor group show negative μβ values, usually associated to zwitterionic ground states, and yet they are largely quinoid, as evidenced by crystallographic data and theoretical calculations. Progressive benzoannulation of the spacer and introduction of alkylsulfanyl substituents on the dithiole donor unit result in a shift to more positive μβ values. DFT and ab initio calculations verify these empirical trends.

10.1021/ja051819l

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Citations (95)

La desnaturalización de una proteina globular por surfactantes es monotorizada por espectroscopia Raman quiral

Belén Nieto‐Ortega José M. Hierrozuelo Cristobal Carnero-Ruiz Juan T. López Navarrete Juan Casado-Cordon

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