English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Spin–phonon couplings in transition metal complexes with slow magnetic relaxation

Moseley, D. H., Stavretis, S. E., Thirunavukkuarasu, K., Ozerov, M., Cheng, Y., Daemen, L. L., et al. (2018). Spin–phonon couplings in transition metal complexes with slow magnetic relaxation. Nature Communications, 9: 2572. doi:10.1038/s41467-018-04896-0.

Item is

Basic

show hide
Genre: Journal Article

Files

show Files

Locators

show

Creators

show
hide
 Creators:
Moseley, Duncan H.1, Author
Stavretis, Shelby E.1, Author
Thirunavukkuarasu, Komalavalli2, Author
Ozerov, Mykhaylo3, Author
Cheng, Yongqiang4, Author
Daemen, Luke L.4, Author
Ludwig, Jonathan3, Author
Lu, Zhengguang3, Author
Smirnov, Dmitry3, Author
Brown, Craig M.5, Author
Pandey, Anup4, Author
Ramirez-Cuesta, A. J.4, Author
Lamb, Adam C.1, Author
Atanasov, Mihail6, 7, Author           
Bill, Eckhard8, Author
Neese, Frank9, Author           
Xue, Zi-Ling1, Author
Affiliations:
1Department of Chemistry, University of Tennessee, Knoxville, TN, 37996, USA, ou_persistent22              
2Department of Physics, Florida A&M University, Tallahassee, FL, 32307, USA, ou_persistent22              
3National High Magnetic Field Laboratory, Tallahassee, FL, 32310, USA, ou_persistent22              
4Chemical and Engineering Materials Division, Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN, 37830, USA, ou_persistent22              
5Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, MD, 20899, USA, 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              
8Max Planck Institute for Chemical Energy Conversion, Stiftstraße 34-36, D-45470, Mülheim an der Ruhr, Germany, ou_persistent22              
9Research Department Neese, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541710              

Content

show
hide
Free keywords: -
 Abstract: Spin–phonon coupling plays an important role in single-molecule magnets and molecular qubits. However, there have been few detailed studies of its nature. Here, we show for the first time distinct couplings of g phonons of CoII(acac)2(H2O)2 (acac = acetylacetonate) and its deuterated analogs with zero-field-split, excited magnetic/spin levels (Kramers doublet (KD)) of the S = 3/2 electronic ground state. The couplings are observed as avoided crossings in magnetic-field-dependent Raman spectra with coupling constants of 1–2 cm−1. Far-IR spectra reveal the magnetic-dipole-allowed, inter-KD transition, shifting to higher energy with increasing field. Density functional theory calculations are used to rationalize energies and symmetries of the phonons. A vibronic coupling model, supported by electronic structure calculations, is proposed to rationalize the behavior of the coupled Raman peaks. This work spectroscopically reveals and quantitates the spin–phonon couplings in typical transition metal complexes and sheds light on the origin of the spin–phonon entanglement.

Details

show
hide
Language(s): eng - English
 Dates: 2017-10-182018-05-182018-07-03
 Publication Status: Published online
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1038/s41467-018-04896-0
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 9 Sequence Number: 2572 Start / End Page: - Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723