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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

physical review b

Determination of the molecular structure of the short-lived light-induced high-spin state in the spin-crossover compound [Fe(6-mepy)<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>tren](PF<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><mml:mrow /><mml:mn>6</mml:mn></mml:msub></mml:math>)<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msub><…

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