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Dipole Switching by Intramolecular Electron Transfer in Single-Molecule Magnetic Complex [Mn 12 O 12 (O 2 CR) 16 (H 2 O) 4 ]

Journal Article · · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

Not provided.

Research Organization:
Univ. of Florida, Gainesville, FL (United States); Univ. of California, Oakland, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019330; AC02-05CH11231
OSTI ID:
1977962
Journal Information:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Vol. 126, Issue 32; ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English

References (61)

Preparation, structure, and magnetic properties of a dodecanuclear mixed-valence manganese carboxylate journal September 1980
Quantum computing in molecular magnets journal April 2001
Single-Molecule Magnets: From Mn12-ac to dysprosium metallocenes, a travel in time journal August 2021
Electronegative ligands enhance charge transfer to Mn 12 single-molecule magnets deposited on graphene journal February 2020
Asymmetric Design of Spin-Crossover Complexes to Increase the Volatility for Surface Deposition journal September 2021
Characteristics of Single-Molecule Magnet Dimers ([Mn 3 ] 2 ) on Graphene and h -BN journal December 2020
Reading and writing single-atom magnets journal March 2017
High performance single-molecule magnets, Orbach or Raman relaxation suppression? journal January 2020
Development of Single‐Molecule Magnets journal June 2020
Anomalous frequency dependence of magneto-electric effect in doped DTN journal May 2021
Giant Magnetoelectric Coupling and Magnetic-Field-Induced Permanent Switching in a Spin Crossover Mn(III) Complex journal December 2020
Magnetoelectric behavior via a spin state transition journal September 2019
Luminescent and Magnetic Cyano-Bridged Coordination Polymers Containing 4d−4f Ions: Toward Multifunctional Materials journal June 2009
Cell-Penetrating Metal Complex Optical Probes: Targeted and Responsive Systems Based on Lanthanide Luminescence journal July 2009
Stable Metal–Organic Frameworks with Group 4 Metals: Current Status and Trends journal February 2018
Molecular Quantum Spintronics: Supramolecular Spin Valves Based on Single-Molecule Magnets and Carbon Nanotubes journal October 2011
Organic magnetoelectric and optomagnetic couplings: perspectives for organic spin optoelectronics journal February 2021
Molecular magnetism: from chemical design to spin control in molecules, materials and devices journal October 2019
Toward Long-Range Entanglement between Electrically Driven Single-Molecule Magnets journal November 2019
Electro‐Conductive Single‐Molecule Magnet Composed of a Dysprosium(III)‐Phthalocyaninato Double‐Decker Complex with Magnetoresistance journal August 2021
Electrically driven nuclear spin resonance in single-molecule magnets journal June 2014
Single-molecule magnet Mn 12 on GaAs-supported graphene: Gate field effects from first principles journal January 2022
Controllable Spin Switching in a Single-Molecule Magnetic Tunneling Junction journal May 2021
Theoretical Basis for Switching a Kramers Single Molecular Magnet by Circularly-Polarized Radiation journal November 2019
Manipulation and readout of spin states of a single-molecule magnet by a spin-polarized current journal April 2022
Conformational Electroresistance and Hysteresis in Nanoclusters journal July 2014
Giant tunnel electroresistance for non-destructive readout of ferroelectric states journal May 2009
Giant Electroresistance in Ferroelectric Tunnel Junctions journal June 2005
Colossal electroresistance of a Pr 0.7 Ca 0.3 Mn O 3 thin film at room temperature journal December 2004
Improvement of reproducible resistance switching in polycrystalline tungsten oxide films by in situ oxygen annealing journal February 2010
Single Molecular Orientation Switching of an Endohedral Metallofullerene journal May 2005
Rod Packings and Metal−Organic Frameworks Constructed from Rod-Shaped Secondary Building Units journal February 2005
An In Situ High-Temperature Single-Crystal Investigation of a Dehydrated Metal-Organic Framework Compound and Field-Induced Magnetization of One-Dimensional Metal-Oxygen Chains journal October 2005
Base-Induced Formation of Two Magnesium Metal-Organic Framework Compounds with a Bifunctional Tetratopic Ligand journal August 2008
Selective Binding of O 2 over N 2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites journal September 2011
Enhanced H2 Adsorption in Isostructural Metal−Organic Frameworks with Open Metal Sites: Strong Dependence of the Binding Strength on Metal Ions journal November 2008
Synthesis of a honeycomb-like Cu-based metal–organic framework and its carbon dioxide adsorption behaviour journal January 2013
Million-Fold Electrical Conductivity Enhancement in Fe 2 (DEBDC) versus Mn 2 (DEBDC) (E = S, O) journal May 2015
Nudged elastic band method for finding minimum energy paths of transitions
  • JÓNsson, Hannes; Mills, Greg; Jacobsen, Karsten W.
  • Proceedings of the International School of Physics, Classical and Quantum Dynamics in Condensed Phase Simulations https://doi.org/10.1142/9789812839664_0016
conference November 2011
Quantum and thermal effects in H 2 dissociative adsorption: Evaluation of free energy barriers in multidimensional quantum systems journal February 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Generalized Gradient Approximation Made Simple journal October 1996
First principles phonon calculations in materials science journal November 2015
Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111) journal December 1992
Periodic boundary conditions in ab initio calculations journal February 1995
The Perdew–Burke–Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set journal June 2005
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
DFT+ U in Dudarev’s formulation with corrected interactions between the electrons with opposite spins: The form of Hamiltonian, calculation of forces, and bandgap adjustments journal July 2019
Long-Range Magnetic Exchange Pathways in Complex Clusters from First Principles journal May 2021
Exploring the Magnetic Properties of the Largest Single-Molecule Magnets journal April 2020
External Fields in the Self-Consistent Theory of Electronic States: A New Method for Direct Evaluation of Macroscopic and Microscopic Dielectric Response journal August 1983
Electron transfers in chemistry and biology journal August 1985
Quantum chemical probes of electron-transfer kinetics: the nature of donor-acceptor interactions journal July 1991
The initial and final states of electron and energy transfer processes: Diabatization as motivated by system-solvent interactions journal June 2009
Electronic coupling for charge transfer in donor–bridge–acceptor systems. Performance of the two-state FCD model journal January 2012
Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]- journal November 2001
Three-Dimensional (3-D) Ferromagnetic Network of Mn12 Single-Molecule Magnets: Subtle Environmental Effects and Switching to Antiferromagnetic journal August 2017
Extending the family of reduced [Mn12O12(O2CR)16(H2O)x]n− complexes, and their sensitivity to environmental factors journal February 2021
Magnetic Exchange Interactions in the Molecular Nanomagnet Mn 12 journal November 2017
Effect of extra electrons on the exchange and magnetic anisotropy in the anionic single-molecule magnet Mn 12 journal August 2004