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[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 …
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 …
Proton-transfer regulated magnetic coupling characteristics in Blatter-based diradicals
R Malik, Y Bu - New Journal of Chemistry, 2023 - pubs.rsc.org
Stable organic diradicals that show robust intramolecular magnetic coupling interactions are
pertinent building blocks for organic magnetic materials and the design of structure …
pertinent building blocks for organic magnetic materials and the design of structure …
Systematic approach to design organic magnetic molecules: strongly coupled diradicals with ethylene coupler
The intramolecular magnetic coupling constant (J) values of diradical systems linked with
two monoradicals through a coupler (para-substituted phenyl acetylene (Model I), meta …
two monoradicals through a coupler (para-substituted phenyl acetylene (Model I), meta …
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 …
[BUKU][B] Theoretical and computational aspects of magnetic organic molecules
Organic materials with extraordinary magnetic properties promise a wide range of light,
flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic …
flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic …
Quantum interference and spin filtering effects in photo-responsive single molecule devices
The development of stimuli responsive systems that can switch between two distinct spin
states under the application of an external stimulus has always remained an elusive …
states under the application of an external stimulus has always remained an elusive …
Tuning the magnetic properties of a diamagnetic di-Blatter's zwitterion to antiferro-and ferromagnetically coupled diradicals
In the quest of obtaining organic molecular magnets based on stable diradicals, we have
tuned the inherent zwitterionic ground state of tetraphenylhexaazaanthracene (TPHA), a …
tuned the inherent zwitterionic ground state of tetraphenylhexaazaanthracene (TPHA), a …
Scaling approach for intramolecular magnetic coupling constants of organic diradicals
The intramolecular magnetic coupling constants (J) of 9 diradicals (i–ix) coupled with an
aromatic ring were investigated by means of unrestricted density functional theory (DFT) …
aromatic ring were investigated by means of unrestricted density functional theory (DFT) …
Redox-modulated magnetic transformations between ferro-and antiferromagnetism in organic systems: rational design of magnetic organic molecular switches
F Zhang, X Song, Y Bu - The Journal of Physical Chemistry C, 2015 - ACS Publications
Organic molecules with switchable magnetic properties have extensively technological
applications due to the fact that magnetic conversion can be realized through diverse …
applications due to the fact that magnetic conversion can be realized through diverse …