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  Computational Studies on Vibronic Coupling in Single Molecule Magnets: Impact on the Mechanism of Magnetic Relaxation

Atanasov, M., & Neese, F. (2018). Computational Studies on Vibronic Coupling in Single Molecule Magnets: Impact on the Mechanism of Magnetic Relaxation. Journal of Physics: Conference Series, 1148, 012006. doi:10.1088/1742-6596/1148/1/012006.

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Genre: Conference Paper

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 Creators:
Atanasov, Mihail1, 2, Author           
Neese, Frank3, Author           
Affiliations:
1Research Group Atanasov, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541704              
2Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria, ou_persistent22              
3Research Department Neese, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_2541710              

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 Abstract: In this paper we give an overview of our activities on computations
of the electronic structure of single molecule magnets with special emphasize of vibronic coupling as revealed by FIR and
Raman spectra of two complexes of Co(II)-[CoL2]2- (L2-=1,2-bis(methanesulfonamidobenzoate) (1) and of Co(acac)2(H2O)2 (2) subject to two
recent publications (Nature communications 2016 [Ref.14] and 2018
[Ref.15], respectively) in close collaboration with several experimental
groups. The implications of spin-vibronic coupling for the field dependence of the magnetic relaxation has been discusses in close relation with our analysis of the spin-vibronic coupling in the considered complexes.

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Language(s): eng - English
 Dates: 2018-12-032018-12-14
 Publication Status: Published online
 Pages: 20
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1088/1742-6596/1148/1/012006
 Degree: -

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Title: XXIV International Symposium on the Jahn-Teller Effect
Place of Event: Santander, Spain
Start-/End Date: 2018-06-24 - 2018-06-29

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Title: Journal of Physics: Conference Series
Source Genre: Journal
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Publ. Info: Bristol : IOP Publishing
Pages: - Volume / Issue: 1148 Sequence Number: - Start / End Page: 012006 Identifier: ISSN: 1742-6588
CoNE: https://pure.mpg.de/cone/journals/resource/111097776606042