TY - JOUR
T1 - A Neutrally Charged Trimethylmanganese(III) Complex
T2 - Synthesis, Characterization, and Disproportionation Chemistry
AU - Stalzer, Madelyn M.
AU - Telser, Joshua
AU - Krzystek, Jurek
AU - Motta, Alessandro
AU - Delferro, Massimiliano
AU - Marks, Tobin J.
N1 - Funding Information:
This work was supported as part of the Center for Electrochemical Energy Science, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award number DEAC02? 06CH11. HFEPR studies were supported by the NHMFL, which is funded by the NSF through a Cooperative Agreement DMR 1157490, the State of Florida, and the U.S. Department of Energy. Computational resources supporting this work were provided by the Northwestern University Quest High Performance Computing cluster (M.D.) and CINECA award N. HP10CRFT69 2016 under the ISCRA initiative (A.M.). Dr. A. Ozarowski is acknowledged for his EPR simulation and fitting program SPIN.
Publisher Copyright:
© 2016 American Chemical Society.
PY - 2016/8/22
Y1 - 2016/8/22
N2 - The synthesis and properties of an unusual, neutrally charged and volatile N,N,N′,N′-tetramethylethylenediamine trimethyl manganese(III) complex, (TMEDA)MnMe3, are described, along with its facile disproportionation to the corresponding Mn(II) and Mn(IV) complexes. Characterization by single-crystal XRD, UV-vis spectroscopy, high-frequency and -field EPR (HFEPR), magnetic susceptibility, and density functional theory (DFT) computations indicate that the (TMEDA)MnMe3 electronic structure can be described as largely square pyramidal Mn(III) centered. The paucity of manganese(III) polyalkyls and the simplicity and reactivity of this compound implicate it as a potentially useful synthetic building block.
AB - The synthesis and properties of an unusual, neutrally charged and volatile N,N,N′,N′-tetramethylethylenediamine trimethyl manganese(III) complex, (TMEDA)MnMe3, are described, along with its facile disproportionation to the corresponding Mn(II) and Mn(IV) complexes. Characterization by single-crystal XRD, UV-vis spectroscopy, high-frequency and -field EPR (HFEPR), magnetic susceptibility, and density functional theory (DFT) computations indicate that the (TMEDA)MnMe3 electronic structure can be described as largely square pyramidal Mn(III) centered. The paucity of manganese(III) polyalkyls and the simplicity and reactivity of this compound implicate it as a potentially useful synthetic building block.
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U2 - 10.1021/acs.organomet.6b00422
DO - 10.1021/acs.organomet.6b00422
M3 - Article
AN - SCOPUS:84983591712
VL - 35
SP - 2683
EP - 2688
JO - Organometallics
JF - Organometallics
SN - 0276-7333
IS - 16
ER -