Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France

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Bolvin Hélène

Chargée de Recherches

E-mail : bolvin.at.irsamc.ups-tlse.fr
Address : LCPQ-IRSAMC,
118 Route de Narbonne,
31062 Toulouse Cedex 4, France
Office : 222 Bâtiment 3R1B4
Phone : +33 (0)5 61 55 64 67
Fax : +33 (0)5 61 55 60 65

Research field

- theoretical chemistry
- molecular magnetism

Actual research

- Magnetic properties of lanthanide and actinide complexes
- Theoretical description of EPR parameters, magnetic susceptibility and magnetic coupling
- pNMR shifts

Recent results

- Theoretical description of the magnetic susceptibility and the UV-vis spectra of An(III) and An(IV) aquo complexes

- Orbital model for the Zero Field Splitting in octahedral Ni(II) complexes

- Magnetic and hysteresis coupling in a Dy(III) dimer

- Hyperfine coupling and hysteresis in a Ho(III) dimer

- Spin Hamiltonians from S=1/2 up to S=5/2

Short CV

Since 2010 : Laboratoire de Chimie et Physique Quantiques, Université Paul Sabatier, Toulouse, France.
2001 - 2010 : Laboratoire de Chimie Quantique, Université de Strasbourg, France.
1999 - 2001 : Institutt for kjemi, Universitetet i Tromso, Norway
1993 - 1999 :
Laboratoire de Physique Quantiques, Université Paul Sabatier, Toulouse, France.
1989 - 1993 : PhD in Chemistry in the [Laboratoire de Chimie Inorganique] Université d’Orsay, France , under the supervision of Olivier Kahn.

Selected publications

- Full publication list

- Paramagnetism of Aqueous Actinide Cations. Part II : Theoretical aspects and new measurements on An(IV)
M. Autillo, L. Guerin, D. Guillaumont, P. Moisy, H. Bolvin, C. Berthon Inorg. Chem. 55, 12149-12157 (2016).
- Unraveling \sigma and \pi effects on the magnetic anisotropy in cis-NiA4B2 complexes : magnetization, HF-HFEPR studies, first principles calculations and orbital model.
G. Charron, E. Malkin, G. Rogez, L. J. Batchelor, S. Mazerat, R. Guillot, N. Guihéry, A. L. Barra, T. Mallah, H. Bolvin Chem. Eur. J. 22 16848-16860 (2016).
- Relativistic methods for calculating Electron Paramagnetic Resonance (EPR) parameters
H. Bolvin, J. Autschbach in Liu, W. (editor), ‘Handbook of Relativistic Quantum Chemistry’, Springer, Berlin (2016).
- Assessing the exchange coupling in binuclear lanthanide(III) complexes and the slow relaxation of the magnetization in the antiferromagnetically coupled Dy2

C. Y. Chow, H. Bolvin, V. E. Campbell, R. Guillot, J. W. Kampf, W. Wernsdorfer, F. Gendron, J. Autschbach, V. L. Pecoraro, T. Mallah Chem. Sci., 6, 4148 - 4159, (2015).
- Magnetic properties and electronic structure of neptunyl(VI) complexes : Wavefunctions, orbitals, and crystal-field models
F. Gendron, D. Paez Hernandez, F. P. Notter, B. Pritchard, H. Bolvin, J. Autschbach Chem. Eur. J. 20, 7994 (2014).