Tuning the Optical and Electronic Properties of Perylene Diimides through Transversal Core Extension.
J. Calbo, A. Doncel-Giménez, J. Aragó, E. Ortí.  
Theor. Chem. Acc. 2018, 137(27), 1 - 11. DOI: https://doi.org/10.1007/s00214-018-2205-4

The Role of Planarity versus Nonplanarity in the Electronic Communication of TCAQ-Based Push–Pull Chromophores.
R. García, J. Calbo, R. Viruela, M.A. Herranz, E. Ortí, N. Martín.
ChemPlusChem. 2018, 83. DOI: https://doi.org/10.1002/cplu.201700553

Quantum-Chemical Insights into the Self-Assembly of Carbon-Based Supramolecular Complexes.
J. Calbo, J.C. Sancho-García, E. Ortí, J. Aragó.
Molecules. 2018, 23(118), 1 - 38. 2018. DOI: https://doi.org/10.3390/molecules23010118

Hole Transporting Materials Based on Benzodithiophene and Dithienopyrrole Cores for Efficient Perovskite Solar Cells.
R. Sandoval-Torrientes, I. Zimmermann, J. Calbo, J. Aragó, J. Santos, E. Ortí, N. Martín, M.K. Nazee.  
J. Matter. Chem. 2018, 6, 5944 - 5951. 2018. DOI: https://doi.org/10.1039/C7TA11314E

Hierarchy of Asymmetry at Work: Chain-Dependent Helix-to-Helix Interactions in Supramolecular Polymers.
S. Díaz-Cabrera, Y. Dorca, J. Calbo, J. Aragó, R. Gómez, E. Ortí, L Sánchez.  
Chem. Eur. J. 2018, 24, 2826 - 2831. DOI: https://doi.org/10.1002/chem.201706070

Electronic nature of the emitting triplet in SF5-substituted cationic Ir(III) complexes.
J.M. Junquera-Hernández, J. Escobar, E. Ortí.
Polyhedron. 2018, 140, 1 - 8. DOI: https://doi.org/10.1016/j.poly.2017.10.006

CF3 Substitution of [Cu(P^P)(bpy)][PF6] Complexes: Effects on Photophysical Properties and Light-Emitting Electrochemical Cell Performance.
S. Keller, F. Brunner, J.M. Junquera-Hernández, A. Pertegás, M.-G. La-Placa, A. Prescimone, E.C. Constable, H.J. Bolink, E. Ortí, C.E. Housecroft   
ChemPlusChem. 2108, 83, DOI: https://doi.org/10.1002/cplu.201700501

Bending Carbon Nanoforms for Supramolecular Recognition: A Topological Study on Hemifullerene-Based Aggregates.
J. Calbo, J. Aragó, R.A. Boto, J. Sánchez-Marín, E. Ortí, J. Contreras-García.  
J. Phys. Chem. A. 2018, 122, 1124 - 1137 DOI: https://doi.org/10.1021/acs.jpca.7b11746

Complexation and Electronic Communication between Corannulene-Based Buckybowls and a Curved Truxene-TTF Donor.
M. Gallego, J. Calbo, R-M. Krick Calderon, P. Pla, E.M. Pérez, Y.-T. Wu, E. Ortí; D.M. Guldi, N. Martín.
Chem. Eur. J.  2017, 23, 3666-3673, DOI: https://doi.org/10.1002/chem.201604921  

High-Efficiency Perovskite Solar Cells using Molecularly-Engineered, Thiophene-Rich, Hole-Transporting Materials: Influence of Alkyl Chain Length on Power Conversion Efficiency
I. Zimmermann, J. Urieta-Mora, P. Gratia, J. Aragó, G. Grancini, A. Molina-Ontoria, E. Ortí, N. Mart.
Adv. Energy Mater. 2017, 7, 1601674, DOI: https://doi.org/10.1002/aenm.201601674  

Highly Stable Red-Light-Emitting Electrochemical Cells.
C.D. Ertl, C. Momblona, A. Pertegás, J.M. Junquera-Hernández, M.-G. La-Placa, A. Prescimone, E. Ortí.
J. Am. Chem. Soc.2017139 (8), pp 3237–3248, DOI: https://doi.org/10.1021/jacs.6b13311 

Rhodanine-Based Light Harvesters Absorbing in the Entire Visible Spectrum.
R. Sandoval-Torrientes, J. Calbo, J. Santos, E. Ortí, N. Martín.
Org. Chem. Front. 2017, 4, 1024-1028. DOIhttps://doi.org/10.1039/C6QO00760K 

Isomerism effect on the photovoltaic properties of benzotrithiophene-based hole-transporting materials
I. García-Benito, I. Zimmermann, J. Urieta-Mora, J. Aragó, A. Molina-Ontoria, E. Ortí, N. Martín, M. K. Nazeeruddin.
J. Mater. Chem. A 2017, 5, 8317-8324. DOIhttps://doi.org/10.1039/C7TA00997F 

Theoretical insights into the structural, electronic and optical properties of benzotrithiophene-based hole-transporting materials
J. Calbo, R. Viruela, J. Aragó, E. Ortí. 
Theor. Chem. Acc. 2017, 136, 73. DOI: https://doi.org/10.1007/s00214-017-2100-4  

DLPNO-CCSD(T) Scaled Methods for the Accurate Treatment of Large Supramolecular Complexes: Unveiling the Role of CH–π versus π–π Interactions in the Donor–Acceptor Truxene-tetrathiafulvalene–Hemifullerene Complex
J. Calbo, J. C. Sancho-García, E. Ortí, J. Aragó
J. Comp. Chem. 2017, 38, 1869-1878. DOIhttps://doi.org/10.1002/jcc.24835 

Flexible Chirality in Self-Assembled N-Annulated Perylenedicarboxamides
J. Buendía, J. Calbo, E. Ortí, L. Sánchez
Small. 2017, 13, 1603880. DOI: https://doi.org/10.1002/smll.201603880  

Simple design to achieve red-to-near-infrared emissive cationic Ir(III) emitters and their use in light emitting electrochemical cells
A.K. Pal, D.B. Cordes, A.M.Z. Slawin, C. Momblona, A. Pertegás, E. Ortí, H.J. Bolink, E. Zysman-Colman.
RSC Adv. 2017, 7, 31833-31837, DOI: https://doi.org/10.1039/c7ra06347d 

Highly Stable and Efficient Light-Emitting Electrochemical Cells Based on Cationic Iridium Complexes Bearing Arylazole Ancillary Ligands
M. Martínez-Alonso, J. Cerdá, C. Momblona, A. Pertegás, J.M. Junquera-Hernández, A. Heras, A.M. Rodríguez, G. Espino, H. Bolink, E. Ortí 
Inorg. Chem. 2017, 56(17), 10298-10310, DOIhttps://doi.org/10.1021/acs.inorgchem.7b01167 

Understanding Noncovalent Interactions of Small Molecules with Carbon Nanotubes
J. Calbo, A. López-Moreno, A. de Juan, J. Comer, E. Ortí, E.M. Pérez
Chem. Eur, J. 2017, 23, 12909-12916. DOI: https://doi.org/10.1002/chem.201702756  

Tetrathiafulvalene–Polychlorotriphenylmethyl Dyads: Influence of the Bridge and Open-Shell Characteristics on Linear and Nonlinear Optical Properties.
M. Souto, J. Calbo, I. Ratera, E. Ortí, J. Veciana.  
Chem. Eur. J. 2017, 23, 11067- 11075. DOI: https://doi.org/10.1002/chem.201701623

Non-Covalent Graphene Nanobuds from Mono- and Tripodal Binding Motifs.
M. Garrido, J. Calbo, L. Rodríguez-Pérez, J. Aragó, E. Ortí, M.A. Herranz, N. Martín.  
Chem. Commun. 2017, 53, 12402 - 12405. DOI: https://doi.org/10.1039/C7CC07836F

Efficient Benzodithiophene/Benzothiadiazole-Based n-Channel Charge Transporters.
R. Sandoval-Torrientes, J. Calbo, W. Matsuda, W. Choi, J. Santos, S. Seki, E. Ortí, N. Martín.  
Chem Phys Chem. 2017, 82, 1105 - 1111. . DOI: https://doi.org/10.1002/cplu.201700047

Controlling the Host-Guest Interaction Mode through a Redox Stimulus.
Szalóki, V. Croué, V. Carré, F. Aubriet, O. Alévêque, E. Levillain, M. Allain, J. Aragó, E. Ortí,.  
Angew. Chem. Int. Ed. 2017, 56, 16272-16276. DOI: https://doi.org/10.1002/anie.201709483

Blue-Emitting Cationic Iridium(III) Complexes Featuring Pyridylpyrimidine Ligands and their Use in Sky-Blue Electroluminescent Devices.
A.F. Henwood, A.K. Pal, D.B. Cordes, A.M.Z. Slawin, T.W. Rees, C. Momblona, A. Babaei, A. Pertegás,.  
J. Mater. Chem C. 2017, 5, 9638 - 9650. 2017. DOI: https://doi.org/10.1039/C7TC03110F  


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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

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