Computational discovery of transition-metal complexes: from high-throughput screening to machine learning

A Nandy, C Duan, MG Taylor, F Liu, AH Steeves… - Chemical …, 2021 - ACS Publications
Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …

OctaDist: a tool for calculating distortion parameters in spin crossover and coordination complexes

R Ketkaew, Y Tantirungrotechai, P Harding… - Dalton …, 2021 - pubs.rsc.org
OctaDist is an interactive and visual program for determination of structural distortion in
octahedral coordination complexes such as spin crossover complexes, single-ion magnets …

Understanding of cooperative effects in molecule-based spin transition materials

Y Fang, YS Meng, H Oshio, T Liu - Coordination Chemistry Reviews, 2024 - Elsevier
Spin transition (ST) materials, exhibiting spin state conversions by external stimuli, have
been studied for over a half-century and have been continuing research interests owing to …

Octacyanidorhenate (V) ion as an efficient linker for hysteretic two‐step iron (II) spin crossover switchable by temperature, light, and pressure

S Chorazy, T Charytanowicz… - Angewandte Chemie …, 2020 - Wiley Online Library
A two‐step hysteretic FeII spin crossover (SCO) effect was achieved in programmed layered
Cs {[Fe (3‐CNpy) 2][Re (CN) 8]}⋅ H2O (1)(3‐CNpy= 3‐cyanopyridine) assembly consisting …

Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal

KA Zenere, SG Duyker, E Trzop, E Collet, B Chan… - Chemical …, 2018 - pubs.rsc.org
Molecule-based spin state switching materials that display ambient temperature transitions
with accompanying wide thermal hysteresis offer an opportunity for electronic switching …

The First Observation of Hidden Hysteresis in an Iron (III) Spin‐Crossover Complex

T Boonprab, SJ Lee, SG Telfer, KS Murray… - Angewandte …, 2019 - Wiley Online Library
Molecular magnetic switches are expected to form the functional components of future
nanodevices. Herein we combine detailed (photo‐) crystallography and magnetic studies to …

Reversible on–off switching of the hysteretic spin crossover in a cobalt (II) complex via crystal to crystal transformation

D Shao, L Shi, FX Shen, XQ Wei, O Sato… - Inorganic …, 2019 - ACS Publications
Reversible controlling and switching of magnetic bistability remains relatively difficult. Here,
reversible on–off switching of a hysteretic spin transition in a CoII complex via a single …

Fluorescence modulation via photoinduced spin crossover switched energy transfer from fluorophores to Fe II ions

JL Wang, Q Liu, YS Meng, X Liu, H Zheng, Q Shi… - Chemical …, 2018 - pubs.rsc.org
Molecular materials possessing phototunable fluorescence properties have attracted great
interest owing to their potential applications in optical switches and storage. However, most …

Valence tautomerism and spin crossover in pyridinophane–cobalt–dioxolene complexes: an experimental and computational study

T Tezgerevska, E Rousset, RW Gable… - Dalton …, 2019 - pubs.rsc.org
Compounds [Co (L-N4R2)(dbdiox)](BPh4)(L-N4R2= N, N′-di-alkyl-2, 11-diaza [3.3]-(2, 6)
pyridinophane, R= iPr (1a), Et (2a); dbdiox= 3, 5-di-tert-butyldioxolene) and [M (L …

Stimuli-responsive magnetic materials: impact of spin and electronic modulation

K Kaushik, S Mehta, M Das, S Ghosh… - Chemical …, 2023 - pubs.rsc.org
Addressing molecular bistability as a function of external stimuli, especially in spin-crossover
(SCO) and metal-to-metal electron transfer (MMET) systems, has seen a surge of interest in …