Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 4568-4575 |
| Number of pages | 8 |
| Journal | Journal of Physical Chemistry Letters |
| Volume | 7 |
| Issue number | 22 |
| DOIs | |
| Publication status | Published - Nov 17 2016 |
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All Science Journal Classification (ASJC) codes
- Materials Science(all)
Cite this
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; Lawicki, Arkadiusz; Terasaki, Akira; Issendorff, Bernd Von; Truhlar, Donald G.; Lau, J. Tobias; Duncan, Michael A.
In: Journal of Physical Chemistry Letters, Vol. 7, No. 22, 17.11.2016, p. 4568-4575.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Size-Dependent Ligand Quenching of Ferromagnetism in Co3(benzene)n+ Clusters Studied with X-ray Magnetic Circular Dichroism Spectroscopy
AU - Akin, Scott T.
AU - Zamudio-Bayer, Vicente
AU - Duanmu, Kaining
AU - Leistner, Georg
AU - Hirsch, Konstantin
AU - Bülow, Christine
AU - Lawicki, Arkadiusz
AU - Terasaki, Akira
AU - Issendorff, Bernd Von
AU - Truhlar, Donald G.
AU - Lau, J. Tobias
AU - Duncan, Michael A.
PY - 2016/11/17
Y1 - 2016/11/17
N2 - 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.
AB - 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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U2 - 10.1021/acs.jpclett.6b01839
DO - 10.1021/acs.jpclett.6b01839
M3 - Article
VL - 7
SP - 4568
EP - 4575
JO - Journal of Physical Chemistry Letters
JF - Journal of Physical Chemistry Letters
SN - 1948-7185
IS - 22
ER -