Nicolas GALLAND

Physical chemistry, theoretical chemistry

• investigating the chemistry of astatine (Z = 85)
• methodological developments in relativistic quantum calculations
• modeling of non-covalent interactions (e.g., hydrogen and halogen bonds)

Current research projects

• funded by the "Agence Nationale de la Rechercher", the TESMARAC LabCom aims to develop new selective resins and support materials for trace-level DTM (difficult-to-measure) radioisotopes separation and analysis in complex media
• the TansForMed cluster, supported by the NExT I-SITE, aims to promote greater integration of research teams from Nantes around a multidisciplinary project in nuclear medicine.
• funded by the "Programme d'Investissements d'Avenir", the ArronaxPlus EquipEx and IRON LabEx projects are committed to developing multidisciplinary research in nuclear medicine
• funded by the "Agence Nationale de la Rechercher", the RoAstA project aims to design original chelates of astatide (At^-) for applications in targeted alpha therapy

Significant publications

• Advances in the chemistry of astatine and implications for the development of radiopharmaceuticals.
  F. Guérard*, C. Maingueneau, L. Liu, R. Eychenne, J.-F. Gestin, G. Montavon*, N. Galland*, Acc. Chem. Res. (54), 3264-3275, 2021.
• An expanded halogen bonding scale using astatine.
  L. Liu, S. Rahali, R. Maurice, C. Gomez Pech, G. Montavon, J.-Y. Le Questel, J. Graton, J. Champion*, N. Galland*, Chem. Sci. (12), 10855-10861, 2021.
• Delocalized relativistic effects, from the viewpoint of halogen bonding.
  S. Sarr, J. Graton, S. Rahali, G. Montavon, N. Galland*, Phys. Chem. Chem. Phys. (23), 4064-4074, 2021.
• The electron affinity of astatine.
  N. Galland et al., Nat. Commun. (11), 3824, 2020.
• Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects.
  N. Galland*, G. Montavon, J.-Y. Le Questel, J. Graton*, New J. Chem. (42), 10510-10517, 2018.
• Spin-orbit coupling as a probe to decipher halogen bonding.
  J. Graton, S. Rahali, J.-Y. Le Questel, G. Montavon, J. Pilmé*, N. Galland*, Phys. Chem. Chem. Phys. (20), 29616-29624, 2018.
• Experimental and computational evidence of halogen bonds involving astatine.
  N. Guo, R. Maurice, D. Teze, J. Graton, J. Champion, G. Montavon*, N. Galland*, Nat. Chem. (10), 428-434, 2018.
• The bonding picture in hypervalent XF₃ (X = Cl, Br, I, At) fluorides revisited with quantum chemical topology.
  M. Amaouch, D.-C. Sergentu, D. Steinmetz, R. Maurice, N. Galland*, J. Pilmé*, J. Comput. Chem. (38), 2753-2762, 2017.
• Influence of alcohol β-fluorination on hydrogen-bond acidity of conformationally flexible substrates.
  J. Graton*, G. Compain, F. Besseau, E. Bogdan, J. Watts, L. Mtashobya, Z. Wang, A. Weymouth-Wilson, N. Galland, J.-Y. Le Questel, B. Linclau*, Chem. Eur. J. (23), 2811-2819, 2017.
• The heaviest possible ternary trihalogen species, IAtBr⁻, evidenced in aqueous solution: an experimental performance driven by computations.
  N. Guo, D.-C. Sergentu, D. Teze, J. Champion, G. Montavon, N. Galland*, R. Maurice*, Angew. Chem., Int. Ed. (55), 15369-15372, 2016.
• Unraveling the hydration-induced ground-state change of AtO⁺ with relativistic and multiconfigurational wave-function-based methods.
  D.-C. Sergentu, F. Réal, G. Montavon, N. Galland*, R. Maurice*, Phys. Chem. Chem. Phys. (18), 32703-32712, 2016.
• Advances on the determination of the astatine Pourbaix diagram: predomination of AtO(OH)₂^– over At^– in basic conditions.
  D.-C. Sergentu, D. Teze, A. Sabatié-Gogova, C. Alliot, N. Guo, F. Bassal, I. Da Silva, D. Deniaud, R. Maurice, J. Champion, N. Galland*, G. Montavon*, Chem. Eur. J. (22), 2964-2971, 2016.
• Electronic structure investigation of the evanescent AtO⁺ ion.
  A. S. P. Gomes, F. Réal, N. Galland, C. Angeli, R. Cimiraglia, V. Vallet*, Phys. Chem. Chem. Phys. (16), 9238-9248, 2014.
• Observation of borirene from crossed beam reaction of boron atoms with ethylene.
  N. Balucani, O. Asvany, Y. T. Lee, R. I. Kaiser*, N. Galland, Y. Hannachi, J. Am. Chem. Soc. (122), 11234-11235, 2000.