Chemical Control of Vibronic Coupling for Magnetic Materials

Información del proyecto

ContraVib

Identificador del acuerdo de subvención: 851504

DOI

10.3030/851504

Proyecto cerrado

Fecha de la firma de la CE 6 Septiembre 2019

Fecha de inicio 1 Febrero 2020

Fecha de finalización 31 Julio 2025

Financiado con arreglo a

• EXCELLENT SCIENCE - European Research Council (ERC)

Coste total

€ 1 945 994,00

Aportación de la UE

€ 1 945 994,00

Coordinado por

THE UNIVERSITY OF MANCHESTER
United Kingdom

CORDIS proporciona enlaces a los documentos públicos y las publicaciones de los proyectos de los programas marco HORIZONTE.

Los enlaces a los documentos y las publicaciones de los proyectos del Séptimo Programa Marco, así como los enlaces a algunos tipos de resultados específicos, como conjuntos de datos y «software», se obtienen dinámicamente de OpenAIRE .

Resultado final

Open Research Data Pilot (1)

Data Management Plan

Research data online.

Publicaciones

Peer reviewed articles (43)

Influence of pressure on the structure, phonon spectrum and magnetic properties of a dysprosocenium Single Molecule Magnet

Autores: V. S. Parmar, A. M. Thiel, R. Nabi, G. K. Gransbury, M. S. Norre, P. Evans, S. C. Corner, J. M. Skelton, N. F. Chilton, D. P. Mills and J. Overgaard
Publicado en: Chemical Communications, 2023, ISSN 1364-548X
Editor: RSC
DOI: 10.1039/d2cc06722f

Structural Evolution of Paramagnetic Lanthanide Compounds in Solution Compared to Time- and Ensemble-Average Structures

Autores: Barak Alnami, Jon G. C. Kragskow, Jakob K. Staab, Jonathan M. Skelton, Nicholas F. Chilton
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, Página(s) 13632-13639, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c01342

Isolation of a Bent Dysprosium Bis(amide) Single-Molecule Magnet

Autores: Jack Emerson-King, Gemma K. Gransbury, George F. S. Whitehead, Iñigo J. Vitorica-Yrezabal, Mathieu Rouzières, Rodolphe Clérac, Nicholas F. Chilton, David P. Mills
Publicado en: Journal of the American Chemical Society, Edición 146, 2024, Página(s) 3331-3342, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c12427

Insights into D 4h @metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex

Autores: Lewis R. Thomas-Hargreaves, David Hunger, Michal Kern, Ashley J. Wooles, Joris van Slageren, Nicholas F. Chilton, Stephen T. Liddle
Publicado en: Chemical Communications, Edición 57/6, 2021, Página(s) 733-736, ISSN 1359-7345
Editor: Royal Society of Chemistry
DOI: 10.1039/d0cc07446b

Correction to Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets

Autores: Jakob Staab, Nicholas Chilton
Publicado en: Journal of Chemical Theory and Computation, Edición 20, 2024, Página(s) 2969-2970, ISSN 1549-9618
Editor: American Chemical Society
DOI: 10.1021/acs.jctc.4c00239

Halobenzene Adducts of a Dysprosocenium Single-Molecule Magnet

Autores: Sophie C. Corner, Gemma K. Gransbury, Iñigo J. Vitorica-Yrezabal, George F. S. Whitehead, Nicholas F. Chilton, David P. Mills
Publicado en: Inorganic Chemistry, Edición 63, 2024, Página(s) 9552-9561, ISSN 0020-1669
Editor: American Chemical Society
DOI: 10.1021/acs.inorgchem.3c04105

Accurate and Efficient Spin–Phonon Coupling and Spin Dynamics Calculations for Molecular Solids

Autores: Rizwan Nabi, Jakob K. Staab, Andrea Mattioni, Jon G. C. Kragskow, Daniel Reta, Jonathan M. Skelton, Nicholas F. Chilton
Publicado en: Journal of the American Chemical Society, 2023, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c06015

Exchange-induced spin polarization in a single magnetic molecule junction

Autores: T. Pei, J. O. Thomas, S. Sopp, M.-Y. Tsang, N. Dotti, J. Baugh, N. F. Chilton, S. Cardona-Serra, A. Gaita-Ariño, H. L. Anderson and L. Bogani
Publicado en: Nature Communication, 2022, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-31909-w

Assessment of minimal active space CASSCF-SO methods for calculation of atomic Slater-Condon and spin-orbit coupling parameters in d- and f-block ions.

Autores: Alvin J Walisinghe; Nicholas F. Chilton
Publicado en: Dalton Transaction, 2021, ISSN 1477-9234
Editor: Royal Society of Chemistry
DOI: 10.1039/d1dt02346b

Single Isomer Heterometallic {CrIII6MII2} Rings Templated by Tetramethylammonium

Autores: R. T. R. Alotaibi, E. Little, J. M. Fowler, A. Brookfield, R. W. Adams, A. Achari, G. A. Timco, G. F. S. Whitehead, N. F. Chilton, R. R. Nair, D. Collison and R. E. P. Winpenny
Publicado en: Inorganic Chemistry, 2021, ISSN 0020-1669
Editor: American Chemical Society

Isolation and electronic structures of derivatized manganocene, ferrocene and cobaltocene anions

Autores: Conrad A. P. Goodwin, Marcus J. Giansiracusa, Samuel M. Greer, Hannah M. Nicholas, Peter Evans, Michele Vonci, Stephen Hill, Nicholas F. Chilton, David P. Mills
Publicado en: Nature Chemistry, Edición 13/3, 2021, Página(s) 243-248, ISSN 1755-4330
Editor: Nature Publishing Group
DOI: 10.1038/s41557-020-00595-w

Metal–carbon bonding in early lanthanide substituted cyclopentadienyl complexes probed by pulsed EPR spectroscopy

Autores: Lydia E. Nodaraki, Jingjing Liu, Ana-Maria Ariciu, Fabrizio Ortu, Meagan S. Oakley, Letitia Birnoschi, Gemma K. Gransbury, Philip J. Cobb, Jack Emerson-King, Nicholas F. Chilton, David P. Mills, Eric J. L. McInnes, Floriana Tuna
Publicado en: Chemical Science, Edición 15, 2024, Página(s) 3003-3010, ISSN 2041-6520
Editor: Royal Society of Chemistry
DOI: 10.1039/d3sc06175b

Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets

Autores: Andrea Mattioni, Jakob K. Staab, William J. A. Blackmore, Daniel Reta, Jake Iles-Smith, Ahsan Nazir, Nicholas F. Chilton
Publicado en: Nature Communications, Edición 15, 2024, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-023-44486-3

Magnetic exchange interactions in symmetric lanthanide dimetallics

Autores: Marcus J. Giansiracusa, Susan Al-Badran, Andreas K. Kostopoulos, George F. S. Whitehead, Eric J. L. McInnes, David Collison, Richard E. P. Winpenny, Nicholas F. Chilton
Publicado en: Inorganic Chemistry Frontiers, Edición 7/20, 2020, Página(s) 3909-3918, ISSN 2052-1553
Editor: Royal Society of Chemistry
DOI: 10.1039/d0qi00854k

Ab Initio Prediction of High-Temperature Magnetic Relaxation Rates in Single-Molecule Magnets

Autores: Daniel Reta, Jon G. C. Kragskow, Nicholas F. Chilton
Publicado en: Journal of the American Chemical Society, Edición 143/15, 2021, Página(s) 5943-5950, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.1c01410

Studies of the Temperature Dependence of the Structure and Magnetism of a Hexagonal-Bipyramidal Dysprosium(III) Single-Molecule Magnet

Autores: You-Song Ding; William J. A. Blackmore; Yuan-Qi Zhai; Marcus J. Giansiracusa; Daniel Reta; Inigo Vitorica-Yrezabal; Richard E. P. Winpenny; Nicholas F. Chilton; Yan-Zhen Zheng
Publicado en: Inorganic Chemistry, Edición 4, 2022, ISSN 1520-510X
Editor: American Chemical Society
DOI: 10.1021/acs.inorgchem.1c02779

Enhancing Magnetic Hysteresis in Single-Molecule Magnets by Ligand Functionalization

Autores: Ke-Xin Yu, Jon G.C. Kragskow, You-Song Ding, Yuan-Qi Zhai, Daniel Reta, Nicholas F. Chilton, Yan-Zhen Zheng
Publicado en: Chem, Edición 6/7, 2020, Página(s) 1777-1793, ISSN 2451-9294
Editor: Cell Press
DOI: 10.1016/j.chempr.2020.04.024

Intramolecular bridging strategies to suppress two-phonon Raman spin relaxation in dysprosocenium single-molecule magnets

Autores: Jakob K. Staab, Md. Kholilur Rahman, Nicholas F. Chilton
Publicado en: Physical Chemistry Chemical Physics, Edición 26, 2024, Página(s) 17539-17548, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d4cp01716a

Extraction of “hidden” relaxation times from AC susceptibility data

Autores: Nicholas F. Chilton, Daniel Reta
Publicado en: Chemistry Squared, Edición 4, 2020, Página(s) 3, ISSN 2604-0794
Editor: Science Squared
DOI: 10.28954/2020.csq.09.001

Taming Super-Reduced Bi₂^3–Radicals with Rare Earth Cations

Autores: Peng Zhang, Rizwan Nabi, Jakob K. Staab, Nicholas F. Chilton, Selvan Demir
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, Página(s) 9152-9163, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c01058

Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets

Autores: Jakob K. Staab; Nicholas F. Chilton
Publicado en: Crossref, Edición 1, 2022, ISSN 1549-9626
Editor: ACS
DOI: 10.1021/acs.jctc.2c00611

Determination of molecular hydration in solution <i>via</i> changes in magnetic anisotropy

Autores: Marcus J. Giansiracusa, Michele Vonci, Yasmin L. Whyatt, Carys Williams, Kevin Mason, David Parker, Eric J. L. McInnes, Nicholas F. Chilton
Publicado en: Chemical Communications, Edición 59, 2024, Página(s) 4531-4534, ISSN 1359-7345
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cc00601h

Measurement of the Quantum Tunnelling Gap in a Dysprosocenium Single-Molecule Magnet

Autores: W. J. A. Blackmore, A. Mattioni, S. C. Corner, P. Evans, G. K. Gransbury, D. P. Mills and N. F. Chilton
Publicado en: J. Phys. Chem. Lett., 2023, ISSN 1948-7185
Editor: American Chemical Society
DOI: 10.1021/acs.jpclett.3c00034

AtomAccess: A Predictive Tool for Molecular Design and Its Application to the Targeted Synthesis of Dysprosium Single-Molecule Magnets

Autores: Gemma K. Gransbury, Sophie C. Corner, Jon G. C. Kragskow, Peter Evans, Hing Man Yeung, William J. A. Blackmore, George F. S. Whitehead, Iñigo J. Vitorica-Yrezabal, Meagan S. Oakley, Nicholas F. Chilton, David P. Mills
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, Página(s) 22814-22825, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c08841

A Cost-Effective Semi Ab-initio Approach to Model Relaxation in Rare-Earth Single-Molecule Magnets

Autores: E. Garlatti, A. Chiesa, P. Bonfà, E. Macaluso, I. Onuorah, V. Parmar, Y.-S. Ding, Y.-Z. Zheng, M. Giansiracusa, D. Reta, E. Pavarini, T. Guidi, D. P. Mills, N. F. Chilton, R. E. P. Winpenny, P. Santini and S. Carretta
Publicado en: Journal of Physical Chemistry Letters, 2021, ISSN 1948-7185
Editor: American Chemical Society

Magnetic Properties and Second Harmonic Generation of Noncentrosymmetric Cyanido-Bridged Ln(III)–W(V) Assemblies

Autores: Kunal Kumar, Olaf Stefanczyk, Nicholas F. Chilton, Koji Nakabayashi, Kenta Imoto, Richard E. P. Winpenny, Shin-ichi Ohkoshi
Publicado en: Inorganic Chemistry, Edición 60/16, 2021, Página(s) 12009-12019, ISSN 0020-1669
Editor: American Chemical Society
DOI: 10.1021/acs.inorgchem.1c01113

The OpenMolcas <i>Web</i>: A Community-Driven Approach to Advancing Computational Chemistry

Autores: Giovanni Li Manni, Ignacio Fdez. Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Jochen Autschbach, Davide Avagliano, Alberto Baiardi, Jie J. Bao, Stefano Battaglia, Letitia Birnoschi, Alejandro Blanco-González, Sergey I. Bokarev, Ria Broer, Roberto Cacciari, Paul B. Calio, Rebecca K. Carlson, Rafael Carvalho Couto, Luis Cerdán, Liviu F. Chibotaru, Nicholas F. Chilton, Jonathan Richard
Publicado en: Journal of Chemical Theory and Computation, Edición 19, 2023, Página(s) 6933-6991, ISSN 1549-9618
Editor: American Chemical Society
DOI: 10.1021/acs.jctc.3c00182

Ultrahard magnetism from mixed-valence dilanthanide complexes with metal–metal bonding

Autores: C. A. Gould, K. R. McClain, D. Reta, J. G. C. Kragskow, D. A. Marchiori, E. Lachman, E.-S. Choi, J. G. Analytis, R. D. Britt, N. F. Chilton, B. G. Harvey and J. R. Long
Publicado en: Science, 2022, ISSN 1095-9203
Editor: American Association for the Advancement of Science
DOI: 10.1126/science.abl5470

Molecular Magnetism

Autores: N. F. Chilton
Publicado en: Annual Reviews in Materials Research, 2022, ISSN 1545-4118
Editor: Annual Reviews
DOI: 10.1146/annurev-matsci-081420-042553

Spin–phonon coupling and magnetic relaxation in single-molecule magnets

Autores: Jon G. C. Kragskow, Andrea Mattioni, Jakob K. Staab, Daniel Reta, Jonathan M. Skelton, Nicholas F. Chilton
Publicado en: Chemical Society Reviews, Edición 52, 2024, Página(s) 4567-4585, ISSN 0306-0012
Editor: Royal Society of Chemistry
DOI: 10.1039/d2cs00705c

Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

Autores: J. G. C. Kragskow, J. Marbey, C. D. Buch, J. Nehrkorn, M. Ozerov, S. Piligkos, S. Hill and N. F. Chilton
Publicado en: Nature Communications, 2022, ISSN 2041-1723
Editor: Nature Publishing Group
DOI: 10.1038/s41467-022-28352-2

A perfect triangular dysprosium single-molecule magnet with virtually antiparallel Ising-like anisotropy

Autores: Guang Lu, Yang Liu, Wei Deng, Guo-Zhang Huang, Yan-Cong Chen, Jun-Liang Liu, Zhao-Ping Ni, Marcus Giansiracusa, Nicholas F. Chilton, Ming-Liang Tong
Publicado en: Inorganic Chemistry Frontiers, Edición 7/16, 2020, Página(s) 2941-2948, ISSN 2052-1553
Editor: Royal Society of Chemistry
DOI: 10.1039/d0qi00655f

Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes

Autores: Lewis R. Thomas-Hargreaves, Marcus J. Giansiracusa, Matthew Gregson, Emanuele Zanda, Felix O'Donnell, Ashley J. Wooles, Nicholas F. Chilton, Stephen T. Liddle
Publicado en: Chemical Science, Edición 12/11, 2021, Página(s) 3911-3920, ISSN 2041-6520
Editor: Royal Society of Chemistry
DOI: 10.1039/d1sc00238d

Electronic structure comparisons of isostructural early d- and f-block metal(<scp>iii</scp>) bis(cyclopentadienyl) silanide complexes

Autores: Gemma K. Gransbury; Benjamin L. L. Réant; Ashley J. Wooles; Jack Emerson-King; Nicholas F. Chilton; Stephen T. Liddle; David P. Mills
Publicado en: Chemical Science, Edición 2, 2023, ISSN 2041-6539
Editor: RSC
DOI: 10.1039/d2sc04526e

Coercive Fields Exceeding 30 T in the Mixed-Valence Single-Molecule Magnet (Cp^iPr5)₂Ho₂I₃

Autores: Hyunchul Kwon, K. Randall McClain, Jon G. C. Kragskow, Jakob K. Staab, Mykhaylo Ozerov, Katie R. Meihaus, Benjamin G. Harvey, Eun Sang Choi, Nicholas F. Chilton, Jeffrey R. Long
Publicado en: Journal of the American Chemical Society, Edición 146, 2024, Página(s) 18714-18721, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.4c06250

Strong Axiality in a Dysprosium(III) Bis(borolide) Complex Leads to Magnetic Blocking at 65 K

Autores: A. Vincent, Y. L. Whyatt, N. F. Chilton and J. R. Long
Publicado en: J Am Chem Soc, 2023, ISSN 1520-5126
Editor: ACS
DOI: 10.1021/jacs.2c08568

Characterisation of magnetic relaxation on extremely long timescales

Autores: William J. A. Blackmore, Gemma K. Gransbury, Peter Evans, Jon G. C. Kragskow, David P. Mills, Nicholas F. Chilton
Publicado en: Physical Chemistry Chemical Physics, Edición 25, 2024, Página(s) 16735-16744, ISSN 1463-9076
Editor: Royal Society of Chemistry
DOI: 10.1039/d3cp01278f

Ligand Effects on the Spin Relaxation Dynamics and Coherent Manipulation of Organometallic La(II) Potential Qu<i>d</i>its

Autores: Lydia E. Nodaraki, Ana-Maria Ariciu, Daniel N. Huh, Jingjing Liu, Daniel O. T. A. Martins, Fabrizio Ortu, Richard E. P. Winpenny, Nicholas F. Chilton, Eric J. L. McInnes, David P. Mills, William J. Evans, Floriana Tuna
Publicado en: Journal of the American Chemical Society, Edición 146, 2024, Página(s) 15000-15009, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c12827

Synthesis and Magnetic Properties of Bis-Halobenzene Decamethyldysprosocenium Cations

Autores: Sophie C. Corner, Gemma K. Gransbury, Iñigo J. Vitorica-Yrezabal, George F. S. Whitehead, Nicholas F. Chilton, David P. Mills
Publicado en: Inorganic Chemistry, Edición 63, 2024, Página(s) 9562-9571, ISSN 0020-1669
Editor: American Chemical Society
DOI: 10.1021/acs.inorgchem.3c04106

A Trinuclear Gadolinium Cluster with a Three-Center One-Electron Bond and an <i>S</i> = 11 Ground State

Autores: K. Randall McClain, Hyunchul Kwon, Khetpakorn Chakarawet, Rizwan Nabi, Jon G. C. Kragskow, Nicholas F. Chilton, R. David Britt, Jeffrey R. Long, Benjamin G. Harvey
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, Página(s) 8996-9002, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c00182

Thermally Stable Terbium(II) and Dysprosium(II) Bis-amidinate Complexes

Autores: Peng-Bo Jin, Qian-Cheng Luo, Gemma K. Gransbury, Iñigo J. Vitorica-Yrezabal, Tomáš Hajdu, Ilya Strashnov, Eric J. L. McInnes, Richard E. P. Winpenny, Nicholas F. Chilton, David P. Mills, Yan-Zhen Zheng
Publicado en: Journal of the American Chemical Society, Edición 145, 2023, Página(s) 27993-28009, ISSN 0002-7863
Editor: American Chemical Society
DOI: 10.1021/jacs.3c07978

Opening Magnetic Hysteresis by Axial Ferromagnetic Coupling: From Mono‐Decker to Double‐Decker Metallacrown

Autores: Jin Wang, Quan‐Wen Li, Si‐Guo Wu, Yan‐Cong Chen, Rui‐Chen Wan, Guo‐Zhang Huang, Yang Liu, Jun‐Liang Liu, Daniel Reta, Marcus J. Giansiracusa, Zhen‐Xing Wang, Nicholas F. Chilton, Ming‐Liang Tong
Publicado en: Angewandte Chemie International Edition, Edición 60/10, 2021, Página(s) 5299-5306, ISSN 1433-7851
Editor: John Wiley & Sons Ltd.
DOI: 10.1002/anie.202014993

Anomalous magnetism of uranium(IV)-oxo and -imido complexes reveals unusual doubly degenerate electronic ground states

Autores: John A. Seed, Letitia Birnoschi, Erli Lu, Floriana Tuna, Ashley J. Wooles, Nicholas F. Chilton, Stephen T. Liddle
Publicado en: Chem, Edición 7/6, 2021, Página(s) 1666-1680, ISSN 2451-9294
Editor: Cell Press
DOI: 10.1016/j.chempr.2021.05.001

Book chapters (1)

Single Molecule Magnets

Autores: Giansiracusa, M., Gransbury, G., Chilton, N. & Mills, D
Publicado en: Encyclopedia of Inorganic and Bioinorganic Chemistry, 2021, ISBN 9781119951438
Editor: John Wiley & Sons Ltd