Pascale Maldivi

SYstèmes Moléculaires et nanoMatériaux pour l’Energie et la Santé



2005-2012 : Head of the Laboratory of Inorganic and Biological Chemistry (LCIB, joint unit UJF - CEA)

Since 1999 : Head of the team Ionic Recognition and Coordination Chemistry

Research Interests

Theoretical studies of the chemical and physical properties of molecular metal complexes.
Understanding of chemical and physical properties in correlation with the electronic structure of the complexes, on the basis of quantum chemical calculations (Density Functional Theory).
Main interests in the modelling of molecular systems in the field of storage/production of energy :

Molecular complexes grafted on surfaces (Si, graphene, ...) 

Reactivity/activation of molecules

Electronic properties of molecules involved in energy processes


1981-1985 Ecole Normale Supérieure of St Cloud, France
1984 "Agregation" of chemistry
1989 PhD thesis, University of Grenoble I (J. Fourier), France

1998 Habilitation (HDR) University of Grenoble I (J. Fourier), France

Scientific Publications

Full list :


Some recent papers :

A. Parent, C. Caux-Thang, L. Signor, M. Clémancey, R. Sethu, G. Blondin, P. Maldivi, V. Duarte*, JM. Latour*. “A single glutamate to aspartate mutation makes Fur sensitive to H2O2 as PerR”. Angew. Chem. Int. Ed. 2013, 52, 10339-43.

D. Senthilnathan, A. Kachmar, P. Giunta, V. Vetere, P. Maldivi* and A. A. Franco*. “Efficient and Cyclic Hydrogen Evolution Reaction Mechanism on [Ni(PH2NH2)2]2+ Catalysts: A Theoretical and Multiscale Simulation Study”.  RSC Advances, 2014, 4 (10), 5177 – 5187.

E. Gouré, F. Avenier, P. Dubourdeaux, O. Sénèque, F. Albrieux, C. Lebrun, M. Clémancey, P. Maldivi*, and JM Latour*. “A Diiron(III,IV) Imido Species Very Active in Nitrene Transfer Reactions” Angew. Chem. Int. Ed. 2014, 53, 1580-1584 (very important Paper).

D. Joly, L. Pellejà, S. Narbey, F. Oswald, T. Meyer, Y. Kervella, P. Maldivi, J. N. Clifford, E. Palomares*, and R. Demadrille*. “Metal-free organic sensitizers with narrow absorption in the visible for solar cells exceeding 10% efficiency” Energy Environ. Sci. 2015, 8, 2010-18.

M. G. Quesne, S. Dhurairajan, D. Singh, D. Kumar, P. Maldivi, A. B. Sorokin and S. P. de Visser “Origin of the enhanced reactivity of µ-nitrido-bridged diiron(IV)-oxo porphyrinoid complexes over cytochrome P450 Compound I”. ACS Catalysis. 2016, 6, 2230-2243.


Involvement in Grenoble University

1999-2015 : Various responsibilities and teaching activities at UJF, in the field of molecular metal chemistry.

2005-2015 : Member of the Council of the Doctoral School Chemistry and life Sciences (ED CSV)

Since 2014 : Member of the Committee for Habilitation a Diriger des Recherches of the Doctoral School Chemistry and life Sciences (ED CSV)

Since 2013 : Member of the Scientific Council of Labex Arcane




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