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.
Department of Chemistry and the Institute of Functional Nanomaterials, University of Puerto Rico, San Juan, PR, Puerto Rico.
Dalice
D
Piñero
Peter
P
Baran
Roman
R
Boca
Radovan
R
Herchel
Michael
M
Klein
Raphael G
RG
Raptis
Franz
F
Renz
Yiannis
Y
Sanakis
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