Prof. Pau Ballester

Functional Molecular Assemblies / Materials

Group Leader:
Pau Ballester, ICREA Professor

Administrative Support:
Cristina Vega (until June) / Beatriz Martin

Postdoctoral Researchers:
Gemma Aragay / Rajesh Pudi (until April) / Luis Martinez Crespo

PhD Students:
Luis Escobar / Giulia Moncelsi / Ricardo Molina / Guillem Peñuelas / Andrés Felipe Sierra / Dragos Dabuleanu / Qingqing Sun / Pedro Ferreira / Chiara Mirabella

Master Students:
David Villaron (until July)

Visiting Students:
Giacomo Berton (Oct. – Dec.)

Erasmus Students:
Giacomo Berton (June- 30 Sept.)

Visiting Professors:
Todd Davis (May – June)

Visiting Researchers:
Kaisa Helttunen


The Ballester group is working to understand molecular self-assembly processes as a methodology to construct large and functional multimolecular assemblies. A second area of interest for the group resides in the design and application of molecular containers. These are molecules or supramolecules that are sufficiently large to include or encapsulate other molecules. The group investigates the effect that the confinement of molecules in reduced nanoscopic spaces may have in their chemical behaviour. The group also uses these molecular containers as new physical organic chemistry tools to quantify weak intermolecular interactions.


‘o,p-Dimethoxybiphenyl Arylamine Substituted Porphyrins as Hole Transport Materials: Electrochemical, Photophysical and Carrier Mobility Characterization’
R. Pudi, C. Rodríguez-Seco, A. Vidal-Ferran, P. Ballester, E. Palomares
Eur. J. Org. Chem. 2018 (18), 2064-2070

‘Synthesis and Binding Studies of a Tetra-α Aryl-Extended Photoresponsive Calix[4]pyrrole Receptor Bearing meso-Alkyl Substituents’
L. Escobar, F.A. Arroyave, P. Ballester
Eur. J. Org. Chem. 2018 (9), 1097-1106

‘Conformational selectivity and high-affinity binding in the complexation of N-phenyl amides in water by a phenyl extended calix[4]pyrrole’
L. Escobar, A. Díaz-Moscoso, P. Ballester
Chem. Sci. 2018, 9 (36), 7186-7192


‘2‐(4′‐Pyridyl‐N‐oxide)‐Substituted Hemithioindigos as Photoresponsive Guests for a Super Aryl‐Extended Calix[4]pyrrole Receptor’
G. Moncelsi, L. Escobar, H. Dube, P. Ballester
Chem. Asian J. 2018, 13 (12), 1632-1639

‘Switching from Negative-Cooperativity to No-Cooperativity in the Binding of Ion-Pair Dimers by a Bis(calix[4]pyrrole) Macrocycle’
R. Molina-Muriel, G. Aragay, E. C. Escudero-Adán, P. Ballester
J. Org. Chem. 2018, 83 (21), 13507-13514

‘Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors’
E. C. Escudero-Adan, A. Bauza, C. Lecomte, A. Frontera, P. Ballester
Phys. Chem. Chem. Phys., 2018, 20, 24192-24200

‘Synthesis and Dimerization Studies of a Lipophilic Photoresponsive Aryl-Extended Tetraurea-Calix[4]pyrrole ‘
R. Sekiya, A. Díaz‐Moscoso, P. Ballester
Chem. Eur. J. 2018, 24 (9), 2182-2191

‘Enhanced Photosensitive Schottky Diode Behavior of Pyrazine over 2-Aminopyrimidine Ligand in Copper(II)-Phthalate MOFs: Experimental and Theoretical Rationalization’
A. Hossain, A. Dey, S. K. Seth, P.P. Ray, P. Ballester, R. G. Pritchard, J. Ortega-Castro, A. Frontera, S. Mukhopadhyay
ACS Omega 2018, 3 (8), 9160–9171


Network of Functional Molecular Containers with Controlled Switchable Abilities
MSCA IF | Ref: 765297 | Web page

Contenedores moleculares y supramoleculares basados en calix[4]pirroles aril-extendidos y super aril-extendidos: estudios fundamentales y aplicaciones
Ministerio | Ref: CTQ2017-84319-P

Química supramolecular interdisciplinar
AGAUR | Ref: 2017SGR1123