Relationship between Electron Affinity and Half-Wave Reduction Potential: A Theoretical Study on Cyclic Electron-Acceptor Compounds
J. Calbo, R. Viruela, E. Ortí, J. Aragó
ChemPhysChem 2016, 17, 3881-3890, DOI: 10.1002/cphc.201600778. 

Conjugated Porphyrin Dimers: Cooperative Effects and Electronic Communication in Supramolecular Ensembles with C60
L. Moreira, J. Calbo, J. Aragó, B.M. Illescas, I. Nierengarten, B. Delavaux-Nicot, E. Ortí, N. Martín, J.-F. Nierengarten
J. Am. Chem. Soc. 2016, 138, 15359-15367, DOI: 10.1021/jacs.6b07250. 

Synthesis and Optoelectronic Properties of Chemically Modified Bi-fluorenylidenes
M. Wielopolski, M. Marszalek, F.G. Brunetti, D. Joly, J. Calbo, J. Aragó, J.-E. Moser, R. Humphry-Baker, S.M. Zakeeruddin, J.L. Delgado, M. Grätzel, E. Ortí, N. Martín
J. Mater. Chem. C 2016, 4, 3798-3808.

Shine Bright or Live Long: Substituent Effects in [Cu(N^N)(P^P)]+-Based Light-Emitting Electrochemical Cells where N^N is a 6-Substituted 2,2'-Bipyridine
S. Keller, A. Pertegás, G. Longo, L. Martinez, J. Cerdá, J.M. Junquera-Hernández, A. Prescimone, E.C. Constable, C.E. Housecroft, E. Ortí, H.J. Bolink
J. Mater. Chem. C 2016, 4, 3857-3871.

Photophysical Properties of Oligo(phenylene ethynylene) Iridium(III) Complexes Functionalized with Metal-Anchoring Groups
J. Ponce, J. Aragó, I. Vayá, J. Gómez Magenti, S. Tatay, E. Ortí, E. Coronado
Eur. J. Inorg. Chem. 2016, 1851-1859. 

Bis-Sulfone- and Bis-Sulfoxide-Spirobifluorenes: Polar Acceptor Hosts with Tunable Solubilities for Blue-Phosphorescent Light-Emitting Devices
C.D. Ertl, H.J. Bolink, C.E. Housecroft, E.C. Constable, E. Ortí, J.M. Junquera-Hernández, M. Neuburger, N.M. Shavaleev, M.K. Nazeeruddin, D. Vonlanthen
Eur. J. Org. Chem. 2016, 2037-2047.

Helical Supramolecular Polymerization of C3-Symmetric Amides and Retroamides: On the Origin of Cooperativity and Handedness
J. Buendía, J. Calbo, F. García, J. Aragó, P.M. Viruela, E. Ortí, L. Sánchez
Chem. Commun. 2016, 52, 6907-6910. 

Regioisomerism in Cationic Sulfonyl-Substituted [Ir(C^N)2(N^N)]+ Complexes: Influence on Photophysical Properties and LEC Performance
C.D. Ertl, L. Gil-Escrig, J. Cerdá, A. Pertegás, H.J. Bolink, J.M. Junquera-Hernández, A. Prescimone, M. Neuburger, E.C. Constable, Enrique Ortí, C.E. Housecroft
Dalton Trans. 2016, 45, 11668-11681.

Synthesis, Properties, and Light-Emitting Electrochemical Cell (LEEC) Device Fabrication of Cationic Ir(III) Complexes Bearing Electron-Withdrawing Groups on the Cyclometallating Ligands
A.K. Pal, D.B. Cordes, A.M.Z. Slawin, C. Momblona, E. Orti, I.D.W. Samuel, H.J. Bolink, E. Zysman-Colman
Inor. Chem. 2016, 55, 10361-10376.

[Ir(C^N)2(N^N)]+ Emitters Containing Naphthalene Unit within a Linker between the Two Cyclometallating Ligands
A.M. Bünzli, A. Pertegás, C. Momblona, J.M. Junquera-Hernández, E.C. Constable, H.J. Bolink, Enrique Ortí, C.E. Housecroft
Dalton Trans. 2016, 45, 16379-16392.

Metal-Atom Impact on the Self-Assembly of Cup-and-Ball Metalloporphyrin-Fullerene Conjugates
L. Moreira, J. Calbo, B.M. Illescas, J. Aragó, I. Nierengarten, B. Delavaux-Nicot, E. Ortí, N. Martín, J.-F. Nierengarten
Angew. Chem. Int. Ed. 2015, 54, 1255–1260. 

A Columnar Liquid Crystal with Permanent Polar Order
J. Guilleme, J. Aragó, E. Ortí, E. Cavero, T. Sierra, J. Ortega, C.L. Folcia, J. Etxebarria, D. González-Rodríguez, T. Torres
J. Mater. Chem. C 2015, 3, 985-989. 

Non-Centrosymmetric Homochiral Supramolecular Polymers of Tetrahedral Subphthalocyanine Molecules
J. Guilleme, M.J. Mayoral, J. Calbo, J. Aragó, P.M. Viruela, E. Ortí, T. Torres, D. González-Rodríguez
Angew. Chem. Int. Ed. 2015, 54, 2543–2547. 

Accurate Treatment of Large Supramolecular Complexes by Double-Hybrid Density Functionals Coupled with Nonlocal van der Waals Corrections
J. Calbo, E. Ortí, J.C. Sancho-García, J. Aragó
J. Chem. Theory Comput. 2015, 11, 932-939. 

Role of the Bridge in Photoinduced Electron Transfer in Porphyrin-Fullerene Dyads
B. Pelado, F. Abou-Chahine, J. Calbo, R. Caballero, P. de la Cruz, J.M. Junquera-Hernández, E. Ortí, N. V. Tkachenko, F. Langa
Chem. Eur. J. 2015, 21, 5814–5825. 

High Yield Ultrafast Intramolecular Singlet Exciton Fission in a Quinoidal Bithiophene
O. Varnavski, N. Abeyasinghe, J. Aragó, J.J. Serrano-Pérez, E. Ortí, J.T. López-Navarrete, K. Takimiya, D. Casanova, J. Casado, T. Goodson III
J. Phys. Chem. Lett., 2015, 6, 1375–1384. 

Light-Emitting Fabrics
E. Ortí, H.J. Bolink
Nature Photon. 2015, 9 (April), 211-212 (News & Views). 

Emission Energy of Azole-Based Ionic Iridium(III) Complexes: A Theoretical Study
P. Pla, J.M. Junquera-Hernández, H.J. Bolink, E. Ortí
Dalton Trans. 2015, 44, 8497–8505. 

Exceptionally Long-Lived Light-Emitting Electrochemical Cells: Multiple Intra-Cation π-Stacking Interactions in [Ir(C^N)2(N^N)][PF6] Emitters
A.M. Bünzli, E.C. Constable, C.E. Housecroft, A. Prescimone, J.A. Zampese, G. Longo, L. Gil-Escrig, A. Pertegás, E. Ortí, H.J. Bolink
Chem. Sci. 2015, 6, 2843-2852. 

On the Handedness of Helical Aggregates of C3 Tricarboxamides. A Multichiroptical Characterization
B. Nieto-Ortega, F. García, G. Longhi, E. Castiglioni, J. Calbo, S. Abbate, J.T. López Navarrete, F.J. Ramírez, E. Ortí, L. Sánchez, J. Casado
Chem. Commun. 2015, 51, 9781-9784. 

Unveiling the Nature of Supramolecular Crown Ether-C60 interactions
L. Moreira, J. Calbo, R.M. Krick Calderon, J. Santos, B.M. Illescas, J. Aragó, J.F. Nierengarten, D.M. Guldi, E. Ortí, N. Martín
Chem. Sci. 2015, 6, 4426-4432. 

Blue-Emitting Pyrene-Based Aggregates
J.S. Valera, J. Calbo, R. Gómez, E. Ortí, Luis Sánchez
Chem. Commun. 2015, 51, 10142--10145. 

Green Phosphorescence and Electroluminescence of Sulfur Pentafluoride-Functionalized Cationic Iridium(III) Complexes
N.M. Shavaleev, G. Xie, S. Varghese, D.B. Cordes, A.M.Z. Slawin, C. Momblona, E. Ortí, H.J. Bolink, I.D.W. Samuel, E. Zysman-Colman
Inorg. Chem. 2015, 54, 5907−5914. 

Colour Tuning by the Ring Roundabout: [Ir(C^N)2(N^N)]+ Emitters with Sulfonyl-Substituted Cyclometallating Ligands
C.D. Ertl, J. Cerdá, J.M. Junquera-Hernández, A. Pertegás, H.J. Bolink, E.C. Constable, M. Neuburger, E. Ortí, C.E. Housecroft
RSC Adv. 2015, 5, 42815–42827. 

Determination of Association Constants towards Carbon Nanotubes
A. de Juan, A. López-Moreno, J. Calbo, E. Ortí, E.M. Pérez
Chem. Sci. 2015, 6, 7008-7014. 

J. Calbo, E. Ortí, J.C. Sancho-García, J. Aragó
The Nonlocal Correlation Density Functional VV10: A Successful Attempt to Accurately Capture Noncovalent Interactions
in Annual Reports in Computational Chemistry, Vol. 11, D. Dixon (Ed.), Elsevier B. V., Amsterdam, 2015, Chapter 2, pp 37-102.

 

Head of the Group.

Prof. Enrique Ortí

E-mail: enrique.orti@uv.es
Phone nr: +34 963544438

 

 

Postal Address:

Instituto de Ciencia Molecular (ICMol)

Universidad de Valencia
Catedrático José Beltrán nº 2
46980 Paterna
Spain

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