Size-Dependent Ligand Quenching of Ferromagnetism in Co3 (benzene)n+ Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy

Akin, Scott T.; Zamudio-Bayer, Vicente; Duanmu, Kaining; Leistner, Georg; Hirsch, Konstantin; Bülow, Christine; Ławicki, Arkadiusz; Terasaki, Akira; Issendorff, Bernd von; Truhlar, Donald G.; Lau, J. Tobias; Duncan, Michael A.

doi:10.1021/acs.jpclett.6b01839

Title: Size-Dependent Ligand Quenching of Ferromagnetism in Co₃ (benzene)_n⁺ Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy

Journal Article · Tue Oct 25 00:00:00 EDT 2016 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.6b01839· OSTI ID:1388602

Akin, Scott T. ^[1]; Zamudio-Bayer, Vicente ^[2]; Duanmu, Kaining ^[3]; Leistner, Georg ^[4]; Hirsch, Konstantin ^[4]; Bülow, Christine ^[4]; Ławicki, Arkadiusz ^[5]; Terasaki, Akira ^[6]; Issendorff, Bernd von ^[7]; Truhlar, Donald G. ^[3]; Lau, J. Tobias ^[5]; Duncan, Michael A. ^[1]

Univ. of Georgia, Athens, GA (United States). Dept. of Chemistry
Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin (Germany); Univ. of Freiburg (Germany)
Univ. of Minnesota, Minneapolis, MN (United States). Dept. of Chemistry, Chemical Theory Center, and the Supercomputing Inst.
Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin (Germany); Technische Univ. Berlin (Germany). Inst. fur Optik und Atomare Physik (IOAP)
Helmholtz-Zentrum Berlin für Materialien und Energie, Berlin (Germany)
Genesis Research Inst. (Japan); Department of Chemistry, Kyushu Univ. (Japan)
Univ. of Freiburg (Germany)

Cobalt–benzene cluster ions of the form Co₃(bz)_n⁺ (n = 0–3) were produced in the gas phase, mass-selected, and cooled in a cryogenic ion trap held at 3–4 K. To explore ligand effects on cluster magnetic moments, these species were investigated with X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (XMCD) spectroscopy. XMCD spectra yield both the spin and orbital angular momenta of these clusters. Co₃⁺ has a spin magnetic moment of μS = 6 μB and an orbital magnetic moment of μL = 3 μB. Co₃(bz)⁺ and Co₃(bz)₂⁺ complexes were found to have spin and orbital magnetic moments identical to the values for ligand-free Co₃⁺. However, coordination of the third benzene to form Co₃(bz)₃⁺ completely quenches the high spin state of the system. Density functional theory calculations elucidate the spin states of the Co₃(bz)_n⁺ species as a function of the number of attached benzene ligands, explaining the transition from septet to singlet for n = 0 → 3.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research Center for Inorganometallic Catalyst Design (ICDC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0012702; FA9550-15-1-0088; AC02-05CH11231; UE52-PGM

OSTI ID:: 1388602

Journal Information:: Journal of Physical Chemistry Letters, Vol. 7, Issue 22; Related Information: ICDC partners with University of Minnesota(lead); Argonne National Laboratory; Clemson University; Dow Chemical Company; Northwestern University; Pacific Northwest National Laboratory; University of California Davis; University of Washington; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 22 works

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Title: Size-Dependent Ligand Quenching of Ferromagnetism in Co3 (benzene)n+ Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy

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Title: Size-Dependent Ligand Quenching of Ferromagnetism in Co₃ (benzene)_n⁺ Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy