Magnetic anisotropy in YbIII complex candidates for molecular qubits: a theoretical analysis

Autor: Eliseo Ruiz, Silvia Gómez-Coca, Martín Amoza

Publikováno v: Physical Chemistry Chemical Physics. 23:1976-1983

The magnetic properties of mononuclear YbIII complexes have been explored by using multiconfigurational CASPT2/RASSI calculations. Such complexes, in particular the case of [Yb(trensal)] complex, have been proposed as molecular qubits due to their sp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6ec276ab634f37e5d27a9b1fcf56bb05
https://doi.org/10.1039/d0cp05422d

Spin-Phonon Coupling and Slow-Magnetic Relaxation in Pristine Ferrocenium

Autor: Eliseo Ruiz, Lindley Maxwell, Martín Amoza, Silvia Gómez-Coca, Núria Aliaga-Alcalde

Publikováno v: Digital.CSIC. Repositorio Institucional del CSIC
instname

We report the spin dynamic properties of non-substituted ferrocenium complexes. Ferrocenium shows a field-induced single-molecule magnet behaviour in DMF solution while cobaltocene lacks slow spin relaxation neither in powder nor in solution. Multire

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0cac6f6b9ad4a81dabe9518981e66d66
https://pubmed.ncbi.nlm.nih.gov/34582589

Magnetic anisotropy in Yb

Autor: Martín, Amoza, Silvia, Gómez-Coca, Eliseo, Ruiz

Publikováno v: Physical chemistry chemical physics : PCCP. 23(3)

The magnetic properties of mononuclear YbIII complexes have been explored by using multiconfigurational CASPT2/RASSI calculations. Such complexes, in particular the case of [Yb(trensal)] complex, have been proposed as molecular qubits due to their sp

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::0bcad139463e9bc6beacbb3beeac3b14
https://pubmed.ncbi.nlm.nih.gov/33433544

Slow-spin relaxation of a low-spin S = 1/2 Fe

Autor: Ana B, Buades, Victor S, Arderiu, Lindley, Maxwell, Martín, Amoza, Duane, Choquesillo-Lazarte, Núria, Aliaga-Alcalde, Clara, Viñas, Francesc, Teixidor, Eliseo, Ruiz

Publikováno v: Chemical communications (Cambridge, England). 55(26)

In this communication, we report the first evidence of slow-spin relaxation of a low-spin FeIII carborane complex. Iron S = 1/2 complexes showing such behaviour are particularly appealing as qubit candidates because they fulfil some of the main requi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::0bead8cc28c10dd6f68b61e81f3e3dc8
https://pubmed.ncbi.nlm.nih.gov/30869690

[UF6](2-): A molecular hexafluorido actinide(IV) complex with compensating spin and orbital magnetic moments

Autor: Andrei Rogalev, Daniel Aravena, Katie R. Meihaus, Rodolphe Clérac, Fabrice Wilhelm, Eliseo Ruiz, Kasper S. Pedersen, Jesper Bendix, Martín Amoza, Jeffrey R. Long

Publikováno v: Dipòsit Digital de la UB
Universidad de Barcelona
Pedersen, K S, Meihaus, K R, Rogalev, A, Wihelm, F, Aravena, D, Amoza, M, Ruiz, E, Long, J R, Bendix, J & Clérac, R 2019, ' [UF 6 ] 2-: A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments ', Angewandte Chemie International Edition, vol. 58, no. 44, pp. 15650-15654 . https://doi.org/10.1002/anie.201905056
Pedersen, K S, Meihaus, K R, Rogalev, A, Wilhelm, F, Aravena, D, Amoza, M, Ruiz, E, Long, J R, Bendix, J & Clérac, R 2019, ' [UF6] 2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments ', Angewandte Chemie International Edition, vol. 58, no. 44, pp. 15650-15654 . https://doi.org/10.1002/anie.201905056
Angewandte Chemie International Edition
Angewandte Chemie International Edition, Wiley-VCH Verlag, 2019, 58 (44), pp.15650-15654. ⟨10.1002/anie.201905056⟩
Pedersen, K S, Meihaus, K R, Rogalev, A, Wilhelm, F, Aravena, D, Amoza, M, Ruiz, E, Long, J R, Bendix, J & Clérac, R 2019, ' [UF 6 ] 2− : A Molecular Hexafluorido Actinide(IV) Complex with Compensating Spin and Orbital Magnetic Moments ', Angewandte Chemie, vol. 131, no. 44, pp. 15797-15801 . https://doi.org/10.1002/ange.201905056

The first structurally characterized hexafluorido complex of a tetravalent actinide ion, the [UF6]2− anion, is reported in the (NEt4)2[UF6]⋅2 H2O salt (1). The weak magnetic response of 1 results from both UIV spin and orbital contributions, as e

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2c40e86d3210ed1b687cb7ca0d9a5923
http://hdl.handle.net/2445/154807