A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study.
A comparison is made between the structural, spectroscopic, electrochemical, and magnetic properties of pyrazolate versus carboxylate complexes [Fe3(mu3(mu3O)(mu-LL)6Cl3]2- containing the Fe3(mu3-O)-motif. While the Fe3(mu3-O)-cores are structurally indistinguishable in the two types of complexes, their magnetic properties deviate from the expected values as a result of a through-pyrazole contribution to the overall antiferromagnetic exchange with J1/hc = -80.1 cm(-1) and J2/hc = -72.4 cm(-1), or J1/hc = 70.6 cm(-1) and J2/hc = -80.8 cm(-1), (Hex = -J1(S1S2 + S2S3) - J2S1S3). The magnetic properties of the pyrazolate complexes are further tuned by an antisymmetric exchange interaction term.
Piñero
Dalice
D
Department of Chemistry and the Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR, Puerto Rico.
Baran
Peter
P
Boca
Roman
R
Herchel
Radovan
R
Klein
Michael
M
Raptis
Raphael G
RG
Renz
Franz
F
Sanakis
Yiannis
Y
D018360:Crystallography, X-Ray; D004563:Electrochemistry; D005290:Ferric Compounds / Q000737:chemistry*; D008280:Magnetics; D008958:Models, Molecular; D010100:Oxygen / Q000737:chemistry*; D011720:Pyrazoles / Q000737:chemistry*; D013053:Spectrophotometry; D013696:Temperature
D005290:Ferric Compounds; D011720:Pyrazoles; D010100:Oxygen