Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

High-Spin S = 3/2 Ground-State Aminyl Triradicals: Toward High-Spin Oligo-Aza Nanographenes

Journal Article · · J. Am. Chem. Soc.
DOI:https://doi.org/10.1021/jacs.2c09241· OSTI ID:1901091
Research Organization:
Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
Sponsoring Organization:
DOE - Office Of Science; NIH; NSF
OSTI ID:
1901091
Journal Information:
J. Am. Chem. Soc., Journal Name: J. Am. Chem. Soc. Journal Issue: (42) Vol. 144
Country of Publication:
United States
Language:
ENGLISH

References (92)

Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide journal November 2010
A spin correction procedure for unrestricted Hartree-Fock and Møller-Plesset wavefunctions for singlet diradicals and polyradicals journal September 1988
Nonbenzenoid High-Spin Polycyclic Hydrocarbons Generated by Atom Manipulation journal February 2022
Organic Spin Clusters:  Ferromagnetic Spin Coupling through a Biphenyl Unit in Polyarylmethyl Tri-, Penta-, Hepta-, and Hexadecaradicals journal December 1997
Synthesis and Thin Films of Thermally Robust Quartet ( S = 3/2) Ground State Triradical journal March 2021
A Perimidine-Derived Non-Kekulé Triplet Diradical journal June 2008
Magnetic edge states and coherent manipulation of graphene nanoribbons journal May 2018
The Differential Equations of Consecutive Reactions journal August 1956
Magnetic Ordering in an Organic Polymer journal November 2001
Chemical Redox Agents for Organometallic Chemistry journal January 1996
Triradicals journal July 2013
A high-spin organic diradical as a spin filter journal January 2015
Isolation and Characterization of the Triradical 1,3,5-Trimethylenebenzene journal August 2010
Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene journal February 2017
Über den Zusammenhang des Abschlusses der Elektronengruppen im Atom mit der Komplexstruktur der Spektren journal February 1925
High-Spin Diradical Dication of Chiral π-Conjugated Double Helical Molecule journal October 2019
Organic Spin Clusters. A Dendritic-Macrocyclic Poly(arylmethyl) Polyradical with Very High Spin of S = 10 and Its Derivatives:  Synthesis, Magnetic Studies, and Small-Angle Neutron Scattering journal May 2004
Ab Initio Calculations Show Why m-Phenylene Is Not Always a Ferromagnetic Coupler journal June 1995
Electronic structure of 1,3,5-triaminobenzene trication and related triradicals: Doublet versus quartet ground state journal April 2005
Ferromagnetically Coupled S =1 Chains in Crystals of Verdazyl‐Nitronyl Nitroxide Diradicals journal October 2020
Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products journal September 2011
Recent advances in the syntheses of radical-containing macromolecules journal March 2016
π-Conjugated Conjoined Double Helicene via a Sequence of Three Oxidative CC- and NN-Homocouplings journal June 2005
Observation of fractional edge excitations in nanographene spin chains journal October 2021
A Benzene-1,3,5-Triaminyl Radical Fused with Zn II -Porphyrins: Remarkable Stability and a High-Spin Quartet Ground State journal March 2018
Theoretical Design of High-Spin Polycyclic Hydrocarbons journal June 2010
Electron Spin Resonance Spectra of Oriented Radicals journal August 1964
Radical Polymers for Organic Electronic Devices: A Radical Departure from Conjugated Polymers? journal June 2009
Organic Radical Contrast Agents for Magnetic Resonance Imaging journal September 2012
Solution‐Phase Synthesis and Isolation of An Aza‐Triangulene and Its Cation in Crystalline Form journal September 2022
Organic Spin Clusters: Annelated Macrocyclic Polyarylmethyl Polyradicals and a Polymer with Very High SpinS=6–18 journal July 2004
Thermally and Magnetically Robust Triplet Ground State Diradical journal February 2019
Spin−Spin Contributions to the Zero-Field Splitting Tensor in Organic Triplets, Carbenes and BiradicalsA Density Functional and Ab Initio Study journal November 2006
High-Spin Organic Molecules journal January 2015
Kinetic applications or electron paramagnetic resonance spectroscopy. X. Reactions of some alkylamino radicals in solution journal May 1973
Exact solutions for simple spin clusters with isotropic Heisenberg exchange interactions journal January 1993
Isolation of the Triplet Ground State Aminyl Diradical journal July 2010
On‐Surface Synthesis and Collective Spin Excitations of a Triangulene‐Based Nanostar journal October 2021
Triplet Ground State Derivative of Aza- m -xylylene Diradical with Large Singlet−Triplet Energy Gap journal April 2011
Close relation between quantum interference in molecular conductance and diradical existence journal January 2016
EasySpin, a comprehensive software package for spectral simulation and analysis in EPR journal January 2006
Synthesis and Characterization of π-Extended Triangulene journal June 2019
High-Spin Polyarylmethyl Polyradical:  Fragment of a Macrocyclic 2-Strand Based upon Calix[4]arene Rings journal October 1997
Synthesis of Aza- m -Xylylene Diradicals with Large Singlet–Triplet Energy Gap and Statistical Analyses of Their EPR Spectra journal August 2014
On-surface synthesis of graphene nanoribbons with zigzag edge topology journal March 2016
Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals:  The Roles of Conformation and Spin Density journal December 2003
Bulk susceptibility corrections in nuclear magnetic resonance experiments using superconducting solenoids journal June 1970
Organic Spin Clusters:  Macrocyclic-Macrocyclic Polyarylmethyl Polyradicals with Very High Spin S = 5−13 journal June 2004
Stable diarylnitroxide diradical with triplet ground state journal January 2009
Intramolecular Antiferromagnetic vs Ferromagnetic Spin Coupling through the Biphenyl Unit journal January 1996
Mercury CSD 2.0 – new features for the visualization and investigation of crystal structures journal March 2008
Intramolecular Hydrogen Atom Transfer in Aminyl Radical at Room Temperature with Large Kinetic Isotope Effect journal May 2017
Triradicals journal December 2005
On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring journal December 2020
Nanographenes and Graphene Nanoribbons as Multitalents of Present and Future Materials Science journal June 2022
Quantitative prediction and interpretation of spin energy gaps in polyradicals: the virtual magnetic balance journal January 2017
Porphyrinoids as a platform of stable radicals journal January 2018
Bis[3-tert-butyl-5-(N-oxy-tert-butylamino)phenyl] nitroxide in a quartet ground state: a prototype for persistent high-spin poly[(oxyimino)-1,3-phenylenes] journal May 1991
High-Spin (S = 1) Blatter-Based Diradical with Robust Stability and Electrical Conductivity journal March 2022
Synthesis and Electronic Properties of Extended, Fused-Ring Aromatic Systems Containing Multiple Pentalene Units journal July 2010
Highly Efficient Tuning of Ferromagnetic Spin Interactions in High-Spin Arylamine Structures by Incorporation of Spin Bearing Carbazole Units journal September 2018
Computational Prediction of 1 H and 13 C Chemical Shifts: A Useful Tool for Natural Product, Mechanistic, and Synthetic Organic Chemistry journal November 2011
Aza-Triangulene: On-Surface Synthesis and Electronic and Magnetic Properties journal March 2022
High-Spin Organic Diradical with Robust Stability journal July 2016
Triangle-shaped polycyclic aromatics based on tribenzocoronene: facile synthesis and physical properties journal April 2009
2,6,10-Tris(dianisylaminium)-3,7,11- tris(hexyloxy)triphenylene:  A Robust Quartet Molecule at Room Temperature journal April 2006
Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems journal February 2012
Exchange Coupling Mediated Through-Bonds and Through-Space in Conformationally Constrained Polyradical Scaffolds:  Calix[4]arene Nitroxide Tetraradicals and Diradical journal September 2006
Triplet (S = 1) Ground State Aminyl Diradical journal May 2007
Playing with organic radicals as building blocks for functional molecular materials journal January 2012
An Efficient Route to Stable Room-Temperature Liquid-Crystalline Triphenylenes journal July 2006
Redox-Induced Gating of the Exchange Interactions in a Single Organic Diradical journal May 2017
Quantum Mechanical Tunneling Is Essential to Understanding Chemical Reactivity journal November 2020
Ferromagnetic spin-coupling 4,4″-through metaterphenyl: models for high-spin polymers journal January 2007
Organic Diradicals and Polyradicals: From Spin Coupling to Magnetism? journal June 1994
1 H/ 13 C chemical shift calculations for biaryls: DFT approaches to geometry optimization journal September 2021
Interplay between magnetism and conductivity derived from spin-polarized donor radicals journal January 2011
Very High-Spin Organic Polymer:  π-Conjugated Hydrocarbon Network with Average Spin of S ≥ 40 journal June 1999
Computational Prediction of 1 H and 13 C NMR Chemical Shifts for Protonated Alkylpyrroles: Electron Correlation and Not Solvation is the Salvation journal December 2018
Atomically precise bottom-up synthesis of π-extended [5]triangulene journal July 2019
Synthesis and Isolation of a Kinetically Stabilized Crystalline Triangulene journal November 2021
The Nature of the Chemical Bond. Application of Results Obtained from the Quantum Mechanics and from a Theory of Paramagnetic Susceptibility to the Structure of Molecules journal April 1931
A Hydrocarbon Hexaradical with Three Localized 1,3-Cyclopentanediyl Triplet Diradicals Linked by 1,3,5-Trimethylenebenzene as Ferromagnetic Coupler:  Synthesis of the Azoalkane Precursor, Photochemical Generation of the Polyradical, and EPR Characterization of Its Septet-Spin Ground State journal June 2000
Nitronyl Nitroxide Radicals as Organic Memory Elements with Both n- and p-Type Properties journal April 2011
High-Spin S = 2 Ground State Aminyl Tetraradicals journal November 2013
The ORCA program system: The ORCA program system journal June 2011
Structure–Properties Relationships in Triplet Ground State Organic Diradicals: A Computational Study journal November 2012
400. The determination of the paramagnetic susceptibility of substances in solution by nuclear magnetic resonance journal January 1959
Bond Dissociation Energies of Organic Molecules journal April 2003
Platform for High-Spin Molecules: A Verdazyl-Nitronyl Nitroxide Triradical with Quartet Ground State journal May 2021
Electronic and Spintronic Open-Shell Macromolecules, Quo Vadis? journal January 2022
Nitroxide-Based Macromolecular Contrast Agents with Unprecedented Transverse Relaxivity and Stability for Magnetic Resonance Imaging of Tumors journal July 2017

Similar Records

High-Spin S = 2 Ground State Aminyl Tetraradicals
Journal Article · 2015 · J. Am. Chem. Soc. · OSTI ID:1177701

Triplet (S = 1) Ground State Aminyl Diradical
Journal Article · 2008 · J. Am. Chem. Soc. · OSTI ID:1007619

Synthesis and Thin Films of Thermally Robust Quartet (S = 3/2) Ground State Triradical
Journal Article · 2021 · J. Am. Chem. Soc. · OSTI ID:1783842

Related Subjects