Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction.

ABSTRACT: Single crystal structural analysis of [Fe^II (tame)₂ ]Cl₂ ⋅MeOH (tame=1,1,1-tris(aminomethyl)ethane) as a function of temperature reveals a smooth crossover between a high temperature high-spin octahedral d⁶ state and a low temperature low-spin ground state without change of the symmetry of the crystal structure. The temperature at which the high and low spin states are present in equal proportions is T_1/2 =140 K. Single crystal, variable-temperature optical spectroscopy of [Fe^II (tame)₂ ]Cl₂ ⋅MeOH is consistent with this change in electronic ground state. These experimental results confirm the spin activity predicted for [Fe^II (tame)₂ ]²⁺ during its de novo artificial ev

SUBMITTER: Bernhardt PV 

PROVIDER: S-EPMC5988046 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature