Recent publications
2008
- Aminopyrimidine-Based Donor-Acceptor Chromophores: Push-Pull versus Aromatic Behaviour
A. Ortíz, B. Insuasty, M.R. Torres, M.A. Herranz, N. Martín, R. Viruela, E. Ortí.
Eur. J. Org. Chem., 2008, 99-108.
2007
- Improved stability of solid state light emitting electrochemical cells
consisting of ruthenium and iridium complexes.
H.J. Bolink, L. Cappelli, E. Coronado, R.D. Costa, M. Grätzel, M.K. Nazeeruddin, P.M. Viruela,
E. Ortí
in “Organic Electronics – Materials, Devices and Applications”
Eds: F. So, G.B. Blanchet, Y. Ohmori; Mater. Res. Soc. Symp. Proc. 965E, Warrendale, PA,
2007.
- On the biradicaloid nature of long quinoidal oligothiophenes: New experimental
evidences guided by theoretical studies.
R. Ponce Ortiz, J. Casado, V. Hernández, J.T. López Navarrete, P.M. Viruela, E. Ortí,
K. Takimiya, T. Otsubo.
Angew. Chem. Int. Ed., 2007, 46, 9057-9061.
- Origin of the large spectral shift in electroluminiscence in a blue emitting
cationic iridium(III) complex.
H.J. Bolink, L. Cappelli, S. Cheylan, E. Coronado, R.D. Costa, N. Lardiés,
Md.K. Nazeeruddin, E. Ortí.
J. Mater. Chem., 2007, 17, 5032-5041.
- Synthesis and radical coupling of pyridine-bridged pi-extended
tetrathiafulvalene (TTF)-type donors and push-pull analogues.
E.M. Priego, L. Sánchez, M.A. Herranz, N. Martín, R. Viruela, E. Ortí.
Org. Biomol. Chem., 2007, 5, 1201-1209.
- Concave tetrathiafulvalene-type donors as supramolecular
partners for fullerenes.
E.M. Pérez, M. Sierra, L. Sánchez, M.R. Torres. R. Viruela, P.M.
Viruela, E. Ortí, N. Martín.
Angew. Chem. Int. Ed., 2007, 46, 1847-1851.
2006
- Stable single-layer light-emitting electrochemical cell using
4,7-diphenyl-1,10-phenanthroline-bis(2-phenylpyridine)iridium(III)
hexafluorophosphate.
H.J. Bolink, L. Cappelli, E. Coronado, M. Grätzel, E. Ortí, R.D.
Costa, P.M. Viruela,
M.K. Nazeeruddin.
J. Amer. Chem. Soc., 2006, 128, 14786-14787.
- The interplay of inverted redox potentials and aromaticity in
the oxidized states of new pi-electron donors: 9-(1,3-Dithiol-2-
ylidene)fluorene and 9-(1,3-dithiol-2-ylidene)thioxanthene
derivatives.
S. Amriou, C. Wang, A.S. Batsanov, M.R. Bryce, D.F. Perepichka, E.
Ortí, R. Viruela, J. Vidal-Gancedo, C. Rovira.
Chem. Eur. J, 2006, 12, 3389-3400.
- Magnetic and conductive properties of quinoidal
oligothiophenes.
G. Zotti, S. Zecchin, B. Vercelli, A. Berlin, J. Casado, V.
Hernández,
R.P. Ortiz, J.T. López Navarrete, E. Ortí, P.M. Viruela, B.
Milián.
Chem. Mater., 2006, 18, 1539-1545.
- Electronic interactions in a new pi-extended
tetrathiafulvalene dimer.
M. C. Díaz, B.M. Illescas, N. Martín, I.F. Perepichka, M.R. Bryce,
E. Levillain, R. Viruela, E. Ortí.
Chem. Eur. J., 2006, 12, 2709-2721.
- Magnetic properties of quinoidal oligothiophenes. More than
good candidates for ambipolar organic semiconductors?.
R. Ponce, J. Casado, V. Hernández, J.T. López Navarrete, E. Ortí,
P.M. Viruela, B. Milián, S. Hotta, G. Zotti, S. Zecchin, B.
Vercelli.
Adv. Funct. Mater., 2006, 16, 531-536.
2005
- Mesitylthio-oligothiophenes in various redox states. Molecular
and electronic views as offered by spectroscopy and theory.
J. Casado, M.Z. Zgierski, R.G. Hicks, D.J.T. Myles, P.M. Viruela,
E. Ortí, M.C. Ruiz Delgado, V. Hernández, J.T. López Navarrete.
J. Phys. Chem. A, 2005, 109, 11275-11284.
- Raman and Theoretical Study of the Solvent Effects on
the Sizable Intramolecular Charge Transfer in the Push-Pull
5-(Dimethylamino)5'-nitro-2,2'-bithiophene.
E. Ortí, P.M. Viruela, R. Viruela, F. Effenberger,
V. Hernández, J.T. López Navarrete.
J. Phys. Chem. A, 2005, 109, 8724-8731.
- A theoretical study on the low-lying excited states of
2,2':5',2''-terthiophene and 2,2':5',2'':5'',2'''-
quaterthiophene.
M. Rubio, M. Merchán, E. Ortí.
ChemPhysChem, 2005, 6, 1357-1368.
- Theoretical study of the electronic excited states of
tetracyanoethylene and its radical anion.
B. Milián, R. Pou-Amérigo, M. Merchán, E. Ortí.
ChemPhysChem, 2005, 6, 503-510.
- The first spiroconjugated TTF- and TCNQ-type molecules: A new
class of electroactive systems?
P. Sandín, A. Martínez-Grau, L. Sánchez, C. Seoane, R. Pou-Amérigo,
E. Ortí, N. Martín.
Org. Lett., 2005 7, 295-298.
- A study by spectroelectrochemical FTIR and density functional
theory calculations of the reversible complexing ability of an
electroactive tetrathiafulvalene crown.
C. Wartelle, P.M. Viruela, R. Viruela, E. Ortí, F.X. Sauvage, E.
Levillain, F. Le Derf, M. Sallé.
J. Phys. Chem. A, 2005, 109, 118-1195.
- A multisite molecular mechanism for Baeyer-Villiger
oxidations on solid catalysts using environmentally friendly
H2O2 as oxidant.
M. Boronat, A. Corma, M. Renz, G. Sastre, P.M. Viruela.
Chem. Eur. J., 2005, 11, 6905-6915.
2004
- A theoretical study of neutral and reduced
tetracyano-p-quinodimethane (TCNQ).
B. Milián, R. Pou-Amérigo, R. Viruela, E. Ortí.
J. Mol. Struct. (Theochem), 2004 709, 97-102.
- A new series of pi-extended tetrathiafulvalene derivatives
incorporating fused furanodithiino and thienodithiino units: a joint
experimental and theoretical study.
R. Berridge, I.M. Serebryakov, P.J. Skabara, E. Ortí, R. Viruela,
R. Pou-Amérigo, S.J. Coles, M.B. Hursthouse.
J. Mater. Chem., 2004 14, 2822-2830.
- On the electron affinity of TCNQ.
B. Milián, R. Pou-Amérigo, R. Viruela, E. Ortí.
Chem. Phys. Lett., 2004, 391, 148-151.
- Highly conjugated p-quinonoid pi-extended
tetrathiafulvalene derivatives: A class of highly distorted electron
donors.
M.C. Díaz, B.M. Illescas, N. Martín, R. Viruela, P.M. Viruela, E.
Ortí, O. Brede, I. Zilbermann, D.M. Guldi.
Chem. Eur. J., 2004, 10, 2067-2077.
- Spectroscopic and theoretical study of the molecular and
electronic structures of a terthiophene-based quinodimethane.
J. Casado, T.M. Pappenfus, K.R. Mann, E. Ortí, P.M. Viruela, B.
Milián, V. Hernández, J.T. López Navarrete.
ChemPhysChem, 2004, 5, 529-539.
2003
- The low-lying excited states of 2,2'-bithiophene: A
theoretical analysis.
M. Rubio, M. Merchán, R. Pou-Amérigo, E. Ortí.
ChemPhysChem, 2003, 4, 1308-1315.
- Spectroscopic and theoretical study of push-pull chromophores
containing thiophene-based quinonoid structures as electron
spacers.
B. Milián, E. Ortí, V. Hernández, J.T. López Navarrete, T.
Otsubo.
J. Phys. Chem. B, 2003, 107, 12175-12183.
- First signals of electrochemically oxidized species of TTF
and
TTM-TTF: A study by in situ spectroelectrochemical FTIR and
DFT calculations.
C. Wartelle, R. Viruela, P.M. Viruela, F.X. Sauvage, M. Sallé, E.
Ortí, E. Levillain, F. Le Derf.
Phys. Chem. Chem. Phys., 2003, 5, 4672-4679.
- UV-Vis, IR, Raman and theoretical characterization of a novel
quinoid oligothiophene molecular material.
J. Casado, T.M. Pappenfus, K.R. Mann, B. Milián, E. Ortí, P.M.
Viruela, M.C. Ruiz Delgado, V. Hernández, J.T. López Navarrete.
J. Mol. Struct. 2003, 651-653, 665-673.
- Theoretical study of the molecular structure and the
stability
of neutral and reduced tetracyanoethylene.
B. Milián, R. Pou-Amérigo, R. Viruela, E. Ortí.
Chem. Phys. Lett., 2003, 375, 376-382.
- Theoretical description of the Raman spectrum of a
vinylene-bridged quaterthiophene oligomer.
P.M. Viruela, R. Viruela, E. Ortí, J. Casado, V. Hernández, J.T.
López-Navarrete.
J. Mol. Struct., 2003, 651-653, 657-664.
- Nitro-functionalized oligothiophenes as a novel type of
electroactive molecular material: Spectroscopic,
electrochemical, and computational study.
J. Casado, T.M. Pappenfus, L.L. Miller, K.R. Mann, E. Ortí, P.M.
Viruela, R. Pou-Amérigo, V. Hernández, J.T. López Navarrete.
J. Am. Chem. Soc., 2003, 125, 2524-2534.