Pierluigi Mercandelli

Foto Mercandelli

Assistant Professor of Inorganic Chemistry at DC UNIMI

Expertise: X-ray diffraction and theoretical modelling

Pierluigi Mercandelli obtained his degree in Chemistry (cum laude) in 1995 from the University of Milan, with a thesis about a molecular mechanics study of organometallic complexes of olefins. During the year 1996 he received a scholarship funded by Montell Polyolefins (now LyondellBasell Industries) through which, in addition to the modelling studies of organometallic species, he started his training in X-ray diffraction techniques, studying group 4 metallocene catalysts for olefin polymerization.

During the period 1997/1999 he has been attending the PhD course in Chemical Sciences at the University of Milan. He received the title in 2000 with a thesis about structural and computational studies on hydrido-carbonyl rhenium clusters.

From November 1999 to January 2002 he has been a research assistant at the University of Milan, during which he started to use more extensively quantum mechanical methods.

In February 2002 he joined as a researcher the Faculty of Sciences of the University of Milan, working in the Department of Structural Chemistry and Inorganic Stereochemistry. In this structure he has provided an essential contribution to the creation of the computational laboratory.

The research is conducted in the field of inorganic and organometallic chemistry, with particular regard to the assessment and rationalization of the structure and properties of molecular species, through the integrated use of both experimental (X-ray diffraction) and theoretical (quantum mechanical calculations and molecular mechanics simulations) methods.

His expertise is well represented by the following activities: 1) structural studies by X-ray diffraction, and 2) computational studies on geometry, dynamic processes in solution and in the solid state, reactivity, electronic structure and photophysical properties of organometallics.

The scientific work carried out by Pierluigi Mercandelli is documented by 48 publications in international peer-reviewed journals.



1). M. Panigati, D. Donghi, G. D’Alfonso, P. Mercandelli, A. Sironi, L. D’Alfonso, Luminescent hydrido-carbonyl clusters of rhenium containing bridging 1,2-diazine ligands, Inorg. Chem. 45 (2006) 10909.

2). D. Donghi, G. D’Alfonso, M. Mauro, M. Panigati, P. Mercandelli, A. Sironi, P. Mussini, L. D’Alfonso, A new class of luminescent tricarbonyl rhenium(I) complexes containing bridging 1,2-diazine ligands: Electrochemical, photophysical, and computational characterization, Inorg. Chem. 47 (2008) 4243.

3). M. Mauro, M. Panigati, D. Donghi, P. Mercandelli, P. Mussini, A. Sironi, G. D’Alfonso, Tricarbonyl rhenium(I) complexes containing a bridging 2,5-diphenyl-1,3,4-oxadiazole ligand: Structural, spectroscopic, electrochemical, and computational characterization, Inorg. Chem. 47 (2008) 11154.

4). M. Mauro, E. Quartapelle Procopio, Y. Sun, C.-H. Chien, D. Donghi, M. Panigati, P. Mercandelli, P. Mussini, G. D’Alfonso, L. De Cola, Highly emitting neutral dinuclear rhenium complexes as phosphorescent dopants for electroluminescent devices,

Adv. Funct. Mater. 19 (2009) 1.

5). M. Mauro, K. C. Schuermann, R. Prétt, A. Hafner, P. Mercandelli, A. Sironi, L. De Cola, Complex iridium(III) salts: Luminescent porous crystalline materials, Angew. Chem. Int. Ed. 49 (2010) 1222.

6). E. Quartapelle Procopio, M. Mauro, M. Panigati, D. Donghi, P. Mercandelli, A. Sironi, G. D’Alfonso, L. De Cola, Highly emitting concomitant polymorphic crystals of a dinuclear rhenium complex, J. Am. Chem. Soc. 132 (2010) 14397.

7). S. Tavazzi, L. Silvestri, P. Spearman, A. Borghesi, P. Mercandelli, M. Panigati, G. D’Alfonso, A. Sironi, L. De Cola, Role of molecular packing on the absorption properties of the two polymorphs of [Re2(μ-Cl)2(CO)6(4,5-(Me3Si)2pyridazine)], Cryst. Growth Des. 12 (2012) 742.

8). A. Raimondi, M. Panigati, D. Maggioni, L. D’Alfonso, P. Mercandelli, P. Mussini, G. D’Alfonso, Electrochemical, computational, and photophysical characterization of new luminescent dirhenium-pyridazine complexes containing bridging OR or SR anions, Inorg. Chem. 51 (2012) 2966.

9). M. Panigati, M. Mauro, D. Donghi, P. Mercandelli, P. Mussini, L. De Cola, G. D’Alfonso, Luminescent dinuclear rhenium(I) complexes containing bridging 1,2-diazine ligands: Photophysical properties and application, Coord. Chem. Rev. 256 (2012) 1621.

10). C. Cebrián, M. Mauro, D. Kourkoulos, P. Mercandelli, D. Hertel, K. Meerholz, C. A. Strassert, L. De Cola, Luminescent neutral platinum complexes bearing an asymmetric N^N^N ligand for high-performance solution-processed OLEDs, Adv. Mater. 25 (2013) 437.