[HTML][HTML] Design of magnetic organic molecules and organic magnets: experiment, theory and computation with application and recent advances

SN Datta, AK Pal, A Panda - Chemical Physics Impact, 2023 - Elsevier
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 …

Quantum chemical approaches for controlling and evaluating intramolecular magnetic interactions in organic diradicals

D Cho, KC Ko, JY Lee - International Journal of Quantum …, 2016 - Wiley Online Library
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 …

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 …

Systematic approach to design organic magnetic molecules: strongly coupled diradicals with ethylene coupler

KC Ko, D Cho, JY Lee - The Journal of Physical Chemistry A, 2012 - ACS Publications
The intramolecular magnetic coupling constant (J) values of diradical systems linked with
two monoradicals through a coupler (para-substituted phenyl acetylene (Model I), meta …

Organic magnetic diradicals (radical–coupler–radical): standardization of couplers for strong ferromagnetism

D Cho, KC Ko, JY Lee - The Journal of Physical Chemistry A, 2014 - ACS Publications
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 …

[BUKU][B] Theoretical and computational aspects of magnetic organic molecules

SN Datta, CO Trindle, F Illas - 2013 - books.google.com
Organic materials with extraordinary magnetic properties promise a wide range of light,
flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic …

Quantum interference and spin filtering effects in photo-responsive single molecule devices

A Bajaj, R Khurana, ME Ali - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
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 …

Tuning the magnetic properties of a diamagnetic di-Blatter's zwitterion to antiferro-and ferromagnetically coupled diradicals

R Khurana, A Bajaj, ME Ali - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
In the quest of obtaining organic molecular magnets based on stable diradicals, we have
tuned the inherent zwitterionic ground state of tetraphenylhexaazaanthracene (TPHA), a …

Scaling approach for intramolecular magnetic coupling constants of organic diradicals

KC Ko, D Cho, JY Lee - The Journal of Physical Chemistry A, 2013 - ACS Publications
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) …

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 …