X-ray studies of Spincrossover Compounds in the LIEST State

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Presentation transcript:

X-ray studies of Spincrossover Compounds in the LIEST State J. Kusz1, R. Hinek2, H. Spiering2 and P. Gütlich2 1Institute of Physics, University of Silesia, ul. Uniwersytecka 4, 40-007 Katowice, Poland 2Institut für Anorganische und Analytische Chemie, Johannes Gutenberg-Universität, D-55099 Mainz, Germany Acknowledgment: The work is financially supported by the Deutsche Forschungsgemeinschaft Solution : Assumption: The difference between the lattice constants exhibits Debye behaviour: ( 2) (3) Evaluation : a) from LIEST state from thermally poplulated HS state b) aFe(T)-aZn(T) = aLS+bLST+(aHS-aLS+(bHS-bLS)T)gH(T)  aHS, bHS (fit parameters)  aLS, bLS (fit parameters) Problem: The spin change of the molecule from LS state to HS is accompanied by an increase of the volume of the molecule and a change of its shape, which causes an increase of the volume and a deformation of the unit cell. If the molecules are considered as rigid (incompressible) the lattice parameters are expected to be proportional to the fraction of molecules in one of the spin states. Since and cannot be measured in the entire temperature range, we compare the temperature variation of aFe(T) with the one of aZn(T). The 4-circle LT-diffractometer Experimental Setup : 4-circle HUBER diffractometer NONIUS rotating anode Graphite monochromator (bent in one direction): MoKa CRYOGENICS closed cycle He-cryostat Diffraction Geometry Experimental Method: The single crystals were obtained after recrystallization of pure [M(ptz)6](BF4)2 (M=Fe,Zn; ptz=1-propyltetrazole) from a nitromethane solution. The temperature during the diffraction experiment was controlled within 0.1K. The refinement of the cell parameters was carried out by measuring of about 60 reflections with high 2 -values and their Friedel pairs at both sides of the primary beam. An -scan was carried out at + and - 2  and . The center of gravity was determined by the difference of the two -centers. Lattice parameter a Difference of the lattice parameter a between the iron and the zinc compound Lattice parameter c Difference of the lattice parameter c LIESST (Light Induced Excited Spin State Trapping) The green light from an Argon laser (514 nm) is guided by a glass fiber into the cryostat onto the crystal. The following pictures show the change of the lattice parameters after LIESST Results : Within the experimental error DaHL and DcHL are independent of temperature. The spin crossover molecule behaves as incompressible Experimental results: The variation of the lattice parameters with temperature and after LIESST