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  Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering

Stavretis, S. E., Cheng, Y., Daemen, L. L., Brown, C. M., Moseley, D. H., Bill, E., et al. (2019). Probing Magnetic Excitations in CoII Single-Molecule Magnets by Inelastic Neutron Scattering. European Journal of Inorganic Chemistry, 2019(8), 1119-1127. doi:10.1002/ejic.201801088.

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 Creators:
Stavretis, Shelby E.1, Author
Cheng, Yongqiang2, Author
Daemen, Luke L.2, Author
Brown, Craig M.2, 3, 4, Author
Moseley, Duncan H.1, Author
Bill, Eckhard2, 5, Author
Atanasov, Mihail6, 7, Author           
Ramirez-Cuesta, Anibal J.2, Author
Neese, Frank8, Author           
Xue, Zi-Ling1, 2, Author
Affiliations:
1Department of Chemistry, University of Tennessee, 37996 Knoxville, Tennessee, USA, ou_persistent22              
2Neutron Scattering Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA, ou_persistent22              
3NIST Center for Neutron Research, National Institute of Standards and Technology, 20899 Gaithersburg, Maryland, USA, ou_persistent22              
4Department of Chemical and Biomolecular Engineering, University of Delaware, 19716 Newark, Delaware, USA, ou_persistent22              
5Max Planck Institute for Chemical Energy Conversion, 45470 Mülheim an der Ruhr, Germany, ou_persistent22              
6Research Group Atanasov, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541704              
7Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria, ou_persistent22              
8Research Department Neese, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541710              

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Free keywords: Cobalt; Zero-field splitting; Inelastic neutron scattering; Phonons; DFT phonon calculations
 Abstract: Co(acac)2(H2O)2 (1, acac = acetylacetonate), a transition metal complex (S = 3/2), displays field‐induced slow magnetic relaxation as a single‐molecule magnet. For 1 and its isotopologues Co(acac)2(D2O)2 (1‐d4) and Co(acac‐d7)2(D2O)2 (1‐d18) in approximately D4h symmetry, zero‐field splitting of the ground electronic state leads to two Kramers doublets (KDs): lower energy MS = ±1/2 (ϕ1,2) and higher energy MS = ±3/2 (ϕ3,4) states. This work employs inelastic neutron scattering (INS), a unique method to probe magnetic transitions, to probe different magnetic excitations in 1‐d4 and 1‐d18. Direct‐geometry, time‐of‐flight Disk‐Chopper Spectrometer (DCS), with applied magnetic fields up to 10 T, has been used to study the intra‐KD transition as a result of Zeeman splitting, MS = –1/2 (ϕ1) → MS = +1/2 (ϕ2), in 1‐d18. This is a rare study of the MS = –1/2 → MS = +1/2 excitation in transition metal complexes by INS. Indirect‐geometry INS spectrometer VISION has been used to probe the inter‐KD, ZFS transition, MS = ±1/2 (ϕ1,2) → MS = ±3/2 (ϕ3,4) in both 1‐d4 and 1‐d18, by variable‐temperature (VT) properties of this excitation. The INS spectra measured on VISION also give phonon features of the complexes that are well described by periodic DFT phonon calculations.

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Language(s): eng - English
 Dates: 2018-09-102018-11-182019-02-28
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/ejic.201801088
 Degree: -

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Title: European Journal of Inorganic Chemistry
  Abbreviation : Eur. J. Inorg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: 2019 (8) Sequence Number: - Start / End Page: 1119 - 1127 Identifier: ISSN: 1434-1948
CoNE: https://pure.mpg.de/cone/journals/resource/954926953810_1