Determination of the molecular structure of the short-lived light-induced high-spin state in the spin-crossover compound [Fe(6-mepy)3tren](PF6)2

Article Article scientifique Article Determination of the molecular structure of the short-lived light-induced high-spin state in the spin-crossover compound [Fe(6-mepy)3tren](PF6)2 eng 2013 author Chakraborty Pradip 691335 author Tissot Antoine Michel 764186 author Peterhans Lisa 655922 author Guenee Laure 115015 author Besnard Céline 682138 author Pattison Philip author Hauser Andreas 111359 214306 10.1103/PhysRevB.87.214306 1098-0121 In the spin-crossover compound [Fe(6-mepy)3tren](PF6)2, (6-mepy)3tren = tris{4-[(6-methyl)-2-pyridyl]-3-aza-butenyl}amine, the high-spin state can be populated as metastable state below the thermal transition temperature via irradiation into the metal to ligand charge transfer absorption band of the low-spin species. At 10 K, the lifetime of this metastable state is only 1 s. Despite this, it is possible to determine an accurate excited state structure by following the evolution of relevant structural parameters by synchrotron X-ray diffraction under continuous irradiation with increasing intensity. The difference in metal-ligand bond length between the high-spin and the low-spin state is found to be 0.192 Å obtained from an analysis of the experimental data using the mean-field approximation to model cooperative effects. Dewey 540 38 Département de chimie physique 142 false 687 Groupe Hauser Physical review. B, Condensed matter and materials physics 87 21 01524743-a7b7-4ee8-9dc1-768c063d0ec9 Article (Published version) Public ref01362.pdf 1575175 application/pdf openAccess Faculté des sciences / Section de chimie et biochimie / Département de chimie physique

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Determination of the molecular structure of the short-lived light-induced high-spin state in the spin-crossover compound [Fe(6-mepy)₃tren](PF₆)₂	Physical review. B, Condensed matter and materials physics			2013	790	594

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Peterhans, Lisa