Magnetic Molecules as Building Blocks for Quantum Technologies

E Moreno‐Pineda… - Advanced Quantum …, 2024 - Wiley Online Library
Since the initial observation of quantum effects, scientists have worked diligently to
understand and harness their potential. Thanks to many pioneers, a level where quantum …

Luminescence and Single‐Molecule Magnet Properties in Ideal Symmetry Compounds: Example of a Near‐Planar Tricoordinate Ytterbium (III) Amide

N Jain, F Houard, R Marchal, M Cordier… - …, 2024 - Wiley Online Library
We are reporting on the use of a low‐coordinate YbIII amide with near‐ideal planar trigonal
[Yb {N (SiMe3) 2} 3](1) and on a bipyramidal trigonal derivative [Yb {N (SiMe2H) 2} 3⋅(thf) …

Gaining Insights into the Interplay between Optical and Magnetic Properties in Photoexcited Coordination Compounds

J Braun, AK Powell… - Chemistry–A European …, 2024 - Wiley Online Library
We describe early and recent advances in the fascinating field of combined magnetic and
optical properties of inorganic coordination compounds and in particular of 3d–4f single …

Pressure‐Induced Structural, Optical and Magnetic Modifications in Lanthanide Single‐Molecule Magnets

F Pointillart, B Le Guennic… - Chemistry–A European …, 2024 - Wiley Online Library
Abstract Lanthanide Single‐Molecule Magnets are fascinating objects that break magnetic
performance records with observable magnetic bistability at the boiling temperature of liquid …

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

J Staab, N Chilton - Journal of Chemical Theory and Computation, 2024 - ACS Publications
The implementation of the coordinate transformation from atomic to dimensionless mass-
frequency scaled normal mode coordinates expressed in eqs 19 and 20 of our paper 1 was …

Substituted fullerenes as a promising capping ligand towards stabilization of exohedral Dy (III) based single-ion magnets: a theoretical study

K Kumari, SK Singh - Dalton Transactions, 2024 - pubs.rsc.org
Organometallic dysprosocenium-based molecular magnets are the forefront runners in
offering giant magnetic anisotropy and blocking temperatures close to the boiling point of …

Quantum Algorithm for Vibronic Dynamics: Case Study on Singlet Fission Solar Cell Design

D Motlagh, RA Lang… - arXiv preprint arXiv …, 2024 - arxiv.org
Vibronic interactions between nuclear motion and electronic states are critical for the
accurate modeling of photochemistry. However, accurate simulations of fully quantum non …

The spin-phonon relaxation mechanism of single-molecule magnets in the presence of strong exchange coupling

S Mondal, J Netz, D Hunger, S Suhr, B Sarkar… - arXiv preprint arXiv …, 2024 - arxiv.org
Magnetic relaxation in coordination compounds is largely dominated by the interaction of the
spin with phonons. Large zero-field splitting and exchange coupling values have been …

Photon correlation time-asymmetry and dynamical coherence in multichromophoric systems

C Nation, HO Gestsson, A Olaya-Castro - arXiv preprint arXiv:2404.16892, 2024 - arxiv.org
We theoretically investigate polarization-filtered two-photon correlations for the light emitted
by a multichromophoric system undergoing excitation transport under realistic exciton …

Chirality-Modulated Magnetisation Dynamics in Multi-Chiral Dysprosium Macrocycles

Z Zhu, YL Whyatt, C Zhao, T Wang… - Terms and … - search.proquest.com
O1-Dy1-O2 173.6 (5) O1-Dy1-N1 97.7 (5) O1-Dy1-N2 92.3 (4) O1-Dy1-N3 91.7 (4) O1-Dy1-
N4 101.0 (4) O1-Dy1-N5 84.5 (4) O1-Dy1-N6 77.3 (5) O2-Dy1-N1 79.0 (5) O2-Dy1-N2 91.0 …