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

Pradip Chakraborty, Antoine Tissot, Lisa Peterhans, Laure Guénée, Céline Besnard, Philip Pattison, and Andreas Hauser
Phys. Rev. B 87, 214306 – Published 26 June 2013
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Abstract

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 a metastable state below the thermal transition temperature via irradiation into the metal to the 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 states is found to be 0.192 Å, obtained from an analysis of the experimental data using the mean-field approximation to model cooperative effects.

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  • Received 3 April 2013

DOI:https://doi.org/10.1103/PhysRevB.87.214306

©2013 American Physical Society

Authors & Affiliations

Pradip Chakraborty1, Antoine Tissot1, Lisa Peterhans1, Laure Guénée2, Céline Besnard2, Philip Pattison3, and Andreas Hauser1,*

  • 1Département de chimie physique, Université de Genève, 30, quai Ernest Ansermet, CH-1211 Genève, Switzerland
  • 2Laboratoire de cristallographie, Université de Genève, 24 Quai Ernest-Ansermet, CH-1211 Genève 4, Switzerland
  • 3Laboratory of Crystallography, EPFL, CH-1015 Lausanne, Switzerland and Swiss-Norwegian Beamline, ESRF, F-38043 Grenoble, France

  • *Corresponding author: andreas.hauser@unige.ch

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Vol. 87, Iss. 21 — 1 June 2013

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