Marie-Laure Boillot

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We report an in-depth theoretical study of 4-styrylpyridine in its singlet S(0) ground state. The geometries and the relative stabilities of the trans and cis isomers were investigated within density functional theory (DFT) as well as within Hartree-Fock (HF), second-order Møller-Plesset (MP2), and coupled cluster (CC) theories. The DFT calculations were(More)
We report a thorough investigation of the absorption spectra of the cis and trans isomers of the 4-styrylpyridine photoswitch based on TDDFT calculations. The spectra of both isomers were analysed first from the results of excitation calculations performed on their optimised geometries. The main absorption band of the cis isomer is thus predicted to be due(More)
We report the spin state photo-switching dynamics in two polymorphs of a spin-crossover molecular complex triggered by a femtosecond laser flash, as determined by combining femtosecond optical pump-probe spectroscopy and picosecond X-ray diffraction techniques. The light-driven transformations in the two polymorphs are compared. Combining both techniques(More)
We study by 100 picosecond X-ray diffraction the photo-switching dynamics of single crystal of the orthorhombic polymorph of the spin-crossover complex [(TPA)Fe(TCC)]PF(6), in which TPA = tris(2-pyridyl methyl)amine, TCC(2-) = 3,4,5,6-Cl(4)-Catecholate(2-). In the frame of the emerging field of dynamical structural science, this is made possible by using(More)
Spin cross-over molecules show the unique ability to switch between two spin states when submitted to external stimuli such as temperature, light or voltage. If controlled at the molecular scale, such switches would be of great interest for the development of genuine molecular devices in spintronics, sensing and for nanomechanics. Unfortunately, up to now,(More)
The self-assembly of [Fe(III)(Tp)(CN)(3)](-) and [Fe(II)(bik)(2)(S)(2)](2+) affords the cyanide-bridged mixed valence {Fe(III)(2)Fe(II)(2)}(2+) molecular square, which exhibits a photomagnetic effect under laser light irradiation at low temperature and also shows thermal spin-state conversion near ambient temperature.
The elaboration and study of hybrid nanocomposites based on photoswitchable spin-crossover nanoparticles is reported. A silica polymeric gel is used as the confining medium to control the kinetics of nucleation and growth of a molecular spin-crossover prototype [Fe((mepy)(3)tren)](PF(6))(2). The precipitation of nanoparticles in the matrix is triggered by(More)
A spin-crossover solvated compound [Fe(mepy)3tren](PF6)2·C7H8·C2H3N has been prepared and its switching properties have been compared to those reported for the non-solvated solid. The thermal spin transition occurs at 88 K with the opening of a 3.5 K wide hysteresis loop, while a fairly steep transition at 215 K without hysteresis has been previously(More)