Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians
JP Malrieu, R Caballol, CJ Calzado, C De Graaf… - Chemical …, 2014 - ACS Publications
Magnetism is a phenomenon that has always captured the imagination of humans. Its
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …
discovery in the western world is attributed to the ancient Greek civilization. More than 2500 …
[HTML][HTML] Design of magnetic organic molecules and organic magnets: experiment, theory and computation with application and recent advances
We begin by reviewing the early developments in the synthesis of high-spin organic
molecules and the simultaneous rationalization of the ground states of high spin. A number …
molecules and the simultaneous rationalization of the ground states of high spin. A number …
Antiaromatic Molecules as Magnetic Couplers: A Computational Quest
In this study, we investigate a set of organic diradical structures in which two oxo-verdazyl
radicals are selected as radical spin centers that are connected (coupled) via six coupler …
radicals are selected as radical spin centers that are connected (coupled) via six coupler …
Organic magnetic diradicals (radical–coupler–radical): standardization of couplers for strong ferromagnetism
The intramolecular magnetic coupling constant (J) values of sets of diradicals linked to bis-
DTDA, OVER, and NN radicals (DTDA, OVER, and NN groups) through an aromatic coupler …
DTDA, OVER, and NN radicals (DTDA, OVER, and NN groups) through an aromatic coupler …
Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals
In this review, rational design strategies for pure organic high‐spin molecules with strong
intramolecular magnetic interactions are presented, mostly focusing on the design of …
intramolecular magnetic interactions are presented, mostly focusing on the design of …
Verdazyls: synthesis, properties, application
GN Lipunova, TG Fedorchenko… - Russian Chemical …, 2013 - iopscience.iop.org
Verdazyls: synthesis, properties, application - IOPscience Skip to content IOP Science home
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Simple but useful scheme toward understanding of intramolecular magnetic interactions: Benzene-bridged oxoverdazyl diradicals
It has recently been shown that the types of intramolecular magnetic interactions of diradical
systems can be changed by the types of radical group: syn-group (or α-group) and anti …
systems can be changed by the types of radical group: syn-group (or α-group) and anti …
Orchestration of Ferro-and Anti-ferromagnetic Orders in Gold Nanoclusters
The unpaired electron in the gold clusters (Aun, n= no. of Au atom) with odd number of total
electrons is solely responsible for the magnetic properties in the small-sized Au nano …
electrons is solely responsible for the magnetic properties in the small-sized Au nano …
A Perspective on Designing Chiral Organic Magnetic Molecules with Unusual Behavior in Magnetic Exchange Coupling
P Sarbadhikary, S Shil, A Panda… - The Journal of Organic …, 2016 - ACS Publications
A total of nine diradical-based organic chiral magnetic molecules with allene and cumulene
couplers have been theoretically designed, and subsequently, their magnetic property has …
couplers have been theoretically designed, and subsequently, their magnetic property has …
Role of the coupler to design organic magnetic molecules: LUMO plays an important role in magnetic exchange
We have designed seven organic diradicals with polyacene couplers to show the effect of
the configuration, aromaticity [estimated with the help of Nucleus Independent Chemical …
the configuration, aromaticity [estimated with the help of Nucleus Independent Chemical …