A High-Performance Single-Molecule Magnet Utilizing Dianionic Aminoborolide Ligands

JC Vanjak, BO Wilkins, V Vieru… - Journal of the …, 2022 - ACS Publications
The first example of a homoleptic f-block borolide sandwich complex is presented and
shown to be a high-performance single-molecule magnet (SMM). The bis (borolide) complex …

Investigating the influence of oriented external electric fields on modulating spin-transition temperatures in Fe (ii) SCO complexes: a theoretical perspective

RK Tiwari, R Paul, G Rajaraman - Dalton Transactions, 2024 - pubs.rsc.org
Spin-crossover complexes, valued for their bistability, are extensively studied due to their
numerous potential applications. A primary challenge in this molecular class is to identify …

Enhancing Spin-Transport Characteristics, Spin-Filtering Efficiency, and Negative Differential Resistance in Exchange-Coupled Dinuclear Co (II) Complexes for …

RK Tiwari, R Nabi, RL Kumawat, B Pathak… - Inorganic …, 2023 - ACS Publications
Single-molecule spintronics, where electron transport occurs via a paramagnetic molecule,
has gained wide attention due to its potential applications in the area of memory devices to …

Theoretical Investigations on the Molecular Magnetic Behavior of Actinide Molecules [AnPc2]0/– (An = U, Cf): Prediction of the High Magnetic Blocking Barrier and Magnetic Blocking …

J Liu, Y Chen, H Tang, H Chen, R Qiu… - The Journal of Physical …, 2025 - ACS Publications
Searching for single-molecule magnets (SMM) with large effective blocking barriers, long
relaxation times, and high magnetic blocking temperatures is vitally important not only for the …

Fluxionality Modulating the Magnetic Anisotropy in Lanthanoarene [(ηCnRn)2Ln(II/III)] (n = 4–8) Single-Ion Magnets

A Swain, RK Tiwari, M Khatua… - Inorganic Chemistry, 2023 - ACS Publications
Lanthanoarenes have emerged as the best bet for the futuristic application of single-ion
magnets in information storage devices. While dysprosocenium molecules with various …

Effect of variation of substitution groups attached on benzoxazole ligands on relaxation dynamics of a family of nona-coordinate mononuclear dysprosium zero-field …

B Niu, X Li, R Rana, J Zhang, S Chen, H Ke… - Journal of Molecular …, 2024 - Elsevier
Taking advantage of modified substitution group strategy, the magneto-structural correlation
of four nona-coordinate mononuclear dysprosium zero-field single-molecule magnets …

Identification of Favorable Silica Surface Sites for Single‐Molecule Magnets

M Bernhardt, L Lätsch, B Le Guennic… - Helvetica Chimica …, 2023 - Wiley Online Library
Industrial data storage application based on single‐molecule magnets (SMMs) necessitates
not only strong magnetic remanence at high temperatures but also requires the …

The Mechanism of Spin-Phonon Relaxation in Endohedral Metallofullene Single Molecule Magnets

T Sharma, RK Tiwari, S Dey, LA Mariano… - arXiv preprint arXiv …, 2024 - arxiv.org
This study presents the first-ever investigation of spin-phonon coupling mechanisms in
fullerene-based single-molecule magnets (SMMs) using ab initio CASSCF combined with …

Pushing Boundaries in Single Molecule Magnets: An Ab Initio Perspective on Harnessing Unusual Oxidation States for Unprecedented Lanthanide SMM Performance

T Sharma, A Swain, G Rajaraman - 2023 - chemrxiv.org
The recent breakthrough of attaining blocking temperature near liquid N2 temperature
rekindled the interest in lanthanide-based Single Molecule Magnets towards end-user …

Achieving Ambient Stability and Suppressing Spin-Phonon Coupling in Dyprosocenium SIMs via MOF Encapsulation

G Rajaraman, R Jose, G Bangar, R Rana - 2024 - chemrxiv.org
Detailed ab initio CASSCF calculations coupled with periodic DFT studies on [(Cp*) Dy
(CpiPr5)] molecule encapsulated in a metal-organic framework found that MOF …