[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 …
Hydrogen-Bonding-Assisted Substituent Engineering for Modulating Magnetic Spin Couplings and Switching in m-Phenylene Nitroxide Diradicals
X Zheng, Y Bu - The Journal of Physical Chemistry A, 2023 - ACS Publications
Rational modification of the coupler for the theoretical design of molecular magnets has
attracted extensive interest. Substituent insertion is a widely used strategy for adjusting …
attracted extensive interest. Substituent insertion is a widely used strategy for adjusting …
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 …
Designing the redox-driven switching of ferro-to antiferromagnetic couplings in organic diradicals
Switching of the magnetic exchange coupling from ferro-to antiferromagnetic or vice versa in
a single molecule is an appealing but rarely occurring phenomenon in molecular …
a single molecule is an appealing but rarely occurring phenomenon in molecular …
Magnetic coupling modulation in meta-nitroxide-functionalized isoalloxazine magnets with redox-active units as efficient side-modulators
R Malik, Y Bu - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Magnetic conversion can be accomplished in a variety of ways, as organic molecules with
switchable magnetic characteristics offer numerous technological applications. It is crucial to …
switchable magnetic characteristics offer numerous technological applications. It is crucial to …
Molecular design to enhance the thermal stability of a photo switchable molecular junction based on dimethyldihydropyrene and cyclophanediene isomerization
Photoswitchable molecular devices based on dimethyldihydropyrene (DHP) and
cyclophanediene (CPD) isomers in gold junctions have been systematically studied by …
cyclophanediene (CPD) isomers in gold junctions have been systematically studied by …
Odd-even effect of the switching performance for dimethyldihydropyrene/cyclophanediene single-molecule switch modulated by carbon atomic chains
YQ Mu, JM Zhao, LY Chen, H Huang, ML Wang… - Organic …, 2020 - Elsevier
Improving the switching performance of single-molecule switches is one of the major
pursuits in the research of molecular switches. Here, by applying the first principles method …
pursuits in the research of molecular switches. Here, by applying the first principles method …
Metaphenylene-Based Nitroxide Diradicals: A Protocol To Calculate Intermolecular Coupling Constant in a One-Dimensional Chain
Intramolecular magnetic exchange coupling constants are determined for seven isolated
metaphenylene-based dinitroxide diradicals by unrestricted density functional methodology …
metaphenylene-based dinitroxide diradicals by unrestricted density functional methodology …
Molecular conformations and magnetic parameters of the compact trimethylenemethane-type triplet diradical
EY Misochko, DV Korchagin, AV Akimov… - The Journal of …, 2013 - ACS Publications
The ESR spectrum of compact nitroxide (NO)-substituted nitronyl nitroxide (NN) triplet
diradical N-tert-butyl-N-oxidanyl-2-amino-4, 4, 5, 5-tetramethyl-4, 5-dihydro-1 H-imidazole-3 …
diradical N-tert-butyl-N-oxidanyl-2-amino-4, 4, 5, 5-tetramethyl-4, 5-dihydro-1 H-imidazole-3 …