David A Shultz

Metal-Ligand Exchange Coupling Alters the Open-Shell Ligand Electronic Structure in a Bis(semiquinone) Complex

Miller, P. D., Mengell, J., Shultz, D. A., & Kirk, M. L. (2024, March 22). INORGANIC CHEMISTRY, Vol. 3.

Optical Generation and Manipulation of Spin Qubits for Molecular Quantum Information Science (DE-SC0020199 Final Report)

Photoinduced Magnetic Exchange-Jump Promotes Ground State Biradical Electron Spin Polarization

Kirk, M. L., Shultz, D. A., Marri, A. R., & Est, A. (2024, March 22). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol. 3.

Competitive reversed quartet mechanisms for photogenerated ground state electron spin polarization

CHEMICAL SCIENCE, 14(36), 9689–9695.

Competitive reversed quartet mechanisms for photogenerated ground state electron spin polarization

Kirk, M. L., Shultz, D. A., Hewitt, P., Marri, A. R., & Est, A. (2023, August 8). CHEMICAL SCIENCE, Vol. 8.

Dinuclear ligand-to-ligand charge transfer complexes

Shultz, D. A. A., Stephenson, R., & Kirk, M. L. L. (2023, January 18). DALTON TRANSACTIONS, Vol. 1.

Origin of Ferromagnetic Exchange Coupling in Donor-Acceptor Biradical Analogues of Charge-Separated Excited States

Chen, J., Yang, J., Yadav, M., Shultz, D. A. ., & Kirk, M. L. (2023, January 4). INORGANIC CHEMISTRY, Vol. 1.

Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes

Miller, P. D., Shultz, D. A., Mengell, J., Kirk, M. L., & Wojtas, L. (2023, October 9). CHEMICAL SCIENCE, Vol. 10.

Excited State Exchange Control of Photoinduced Electron Spin Polarization in Electronic Ground States

Kirk, M. L., Shultz, D. A., Hewitt, P., & Est, A. (2022, January 19). JOURNAL OF PHYSICAL CHEMISTRY LETTERS, Vol. 1.

Excited State Magneto-Structural Correlations Related to Photoinduced Electron Spin Polarization

Kirk, M. L., Shultz, D. A., Hewitt, P., Chen, J., & Est, A. van der. (2022, July 8). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol. 7.

Single-Photon-Induced Electron Spin Polarization of Two Exchange-Coupled Stable Radicals

Journal of the American Chemical Society, 144(46), 21005–21009.

Chromophore-radical excited state antiferromagnetic exchange controls the sign of photoinduced ground state spin polarization

Kirk, M. L., Shultz, D. A., Hewitt, P., Stasiw, D. E., Chen, J., & Est, A. (2021, September 9). CHEMICAL SCIENCE, Vol. 9.

Controlled Light and Temperature Induced Valence Tautomerism in a Cobalt-o-Dioxolene Complex

INORGANIC CHEMISTRY, 60(12), 8665–8671.

Magnetic Exchange Coupling through the Nonalternant Cyclopentadienyl pi-System of Ferrocene

ORGANIC LETTERS, 23(21), 8235–8239.

Metal Ion Control of Photoinduced Electron Spin Polarization in Electronic Ground States

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(28), 10519–10523.

Rules for Magnetic Exchange in Azulene-Bridged Biradicals: Quo Vadis?

JOURNAL OF ORGANIC CHEMISTRY, 86(21), 15577–15587.

Exploiting chemistry and molecular systems for quantum information science

[Review of ]. NATURE REVIEWS CHEMISTRY, 4(9), 490–504.

In Search of Stable, High-Spin Polymers

APPLIED MAGNETIC RESONANCE, 51(11), 1331–1341.

Spectroscopic Signatures of Resonance Inhibition Reveal Differences in Donor–Bridge and Bridge–Acceptor Couplings

Journal of the American Chemical Society, 142(10), 4916–4924.

Transferrable property relationships between magnetic exchange coupling and molecular conductance

CHEMICAL SCIENCE, 11(42), 11425–11434.

Long-range spin dependent delocalization promoted by the pseudo Jahn-Teller effect

JOURNAL OF CHEMICAL PHYSICS, 151(20).

Wave Function Control of Charge-Separated Excited-State Lifetimes

Journal of the American Chemical Society, 141(9), 3986–3992.

Excited State Magnetic Exchange Interactions Enable Large Spin Polarization Effects

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 140(6), 2221–2228.

Ground State Nuclear Magnetic Resonance Chemical Shifts Predict Charge-Separated Excited State Lifetimes

INORGANIC CHEMISTRY, 57(21), 13470–13476.

Effect of hydrologic alteration on the community succession of macrophytes at xiangyang site, hanjiang river, china

Scientifica.

Hard X-ray-Induced Valence Tautomeric Interconversion in Cobalt-o-Dioxolene Complexes

The Journal of Physical Chemistry Letters, 8(19), 4774–4778.

Heterospin biradicals provide insight into molecular conductance and rectification

Chemical Science, 8(8), 5408–5415.

Wavefunction Control of Charge-Separated Excited State Spin Polarization and Lifetimes

Shultz, D. (2017, September 18). Presented at the Spin Chemistry Meeting.

Influence of Radical Bridges on Electron Spin Coupling

The Journal of Physical Chemistry A, 121(1), 216–225.

Toward Controlling the Solid State Valence Tautomeric Interconversion Character by Solvation

CRYSTAL GROWTH & DESIGN, 16(4), 2385–2393.

Determining the Conformational Landscape of a and pi Coupling Using para-Phenylene and "Aviram-Ratner" Bridges

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 137(29), 9222–9225.

Donor-Acceptor Biradicals in Ground and Excited States

Shultz, D. (2015, June 26). Presented at the Telluride Science Research Center Meeting.

Semiquinone-Containing Polymers

Shultz, D. (2015, June 14). Presented at the New Magnetic and Electronic Materials, Canadian Society of Chemistry Meeting.

Superexchange Contributions to Quantum Interference Effects in Donor-Acceptor Biradicals

Shultz, D. (2015, March 16). Presented at the Spintronics Symposium, ACS Meeting, Denver, Colorado.

Synthesis, Characterization, and Photophysical Studies of an Iron(III) Catecholate-Nitronylnitroxide Spin-Crossover Complex

INORGANIC CHEMISTRY, 54(9), 4466–4474.

Conformational Dependence of Electronic- and Exchange Coupling

Poster presented at the Donor-Acceptor Gordon Conference.

Correction to “Electronic and Exchange Coupling in a Cross-Conjugated D–B–A Biradical: Mechanistic Implications for Quantum Interference Effects”

Correction to “Electronic and Exchange Coupling in a Cross-Conjugated D–B–A Biradical: Mechanistic Implications for Quantum Interference Effects.” Journal of the American Chemical Society, 136(10), 4090–4090.

Correction to “Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor–Bridge–Acceptor Biradical Complexes”

Correction to “Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor–Bridge–Acceptor Biradical Complexes.” Journal of the American Chemical Society, 136(10), 4089–4089.

Correlations of Electron Spin Exchange- and Electronic Coupling in Metal Complexes of Donor-Bridge-Acceptor Biradical Ligands

Presented at the Telluride Science Research Center Workshop: Electronic and Magnetic Properties of Chiral Structures and their Assemblies.

Ligand Control of Donor–Acceptor Excited-State Lifetimes

Inorganic Chemistry, 53(10), 4791–4793.

Molecular spintronics: a web themed issue

Chemical Communications, 50(56), 7401.

Radical-Mediated Excited State Processes of Donor-Acceptor Chromophores

Poster presented at the Donor-Acceptor Gordon Conference.

Towards Controlling the Valance Tautomer Interconversion Character by Solvation

Acta Crystallographica Section A Foundations and Advances, 70(a1), C1252–C1252.

Electronic and Exchange Coupling in a Cross-Conjugated D–B–A Biradical: Mechanistic Implications for Quantum Interference Effects

Journal of the American Chemical Society, 135(39), 14713–14725.

Iron(ii) spin crossover films on Au(111): scanning probe microscopy and photoelectron spectroscopy

Chemical Communications, 49(89), 10446.

Modification of Molecular Spin Crossover in Ultrathin Films

Nano Letters, 13(4), 1429–1434.

Preliminary Photophysical Studies on Metal Complexes of Catecholate Nitronyl-Nitroxides: Exploring the Effects of Tunable Exchange Couplings on Charge-Separated Excited States

Presented at the International Symposium on the Photophysics and Photochemistry of Coordination Compounds.

Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor–Bridge–Acceptor Biradical Complexes

Journal of the American Chemical Society, 135(45), 17144–17154.

Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

The Journal of Physical Chemistry B, 116(43), 13141–13148.

Donor-Bridge-Acceptor Structure-Property Relationships in Metal Complexes of Semiquinone-Bridge-Nitronyl Nitroxide Ligands

Presented at the Electron Donor-Acceptor Interactions, Gordon Research Conference, Salve Regina University, Newport, RI.

Evaluating Bridge-Dependent Electronic Coupling via Exchange Couplings and Hyperfine Coupling Constants in Metal Complexes of Donor-Bridge-Acceptor Biradicals

Schultz, D. (2012, September 19). Presented at the Contacts To and Within Molecules Workshop, University of Hamburg, Germany.

Photoresponsive Cobalt Bis(dioxolene) Valence Tautomer Complexes and Their Utility in Novel Molecular Spintronics Devices

Schultz, D. (2012, September). Presented at the North Dakota State University.

Spectroscopic Studies of Bridge Contributions to Electronic Coupling in a Donor-Bridge-Acceptor Biradical System

Journal of the American Chemical Society, 134(18), 7812–7819.

Transition metal complexes of donor–acceptor biradicals

Coordination Chemistry Reviews, 257(1), 218–233.

Linear free-energy relationships in semiquinone species and their Mn(II) and Cu(II) complexes

Journal of Physical Organic Chemistry, 25(2), 101–109.

Nitronyl Nitroxide Radicals as Organic Memory Elements with Both n- and p-Type Properties

Angewandte Chemie International Edition, 50(19), 4414–4418.

Synthesis of and structure-property relationships in zinc complexes of bis-metaphenylene semiquinone biradical species

Journal of Physical Organic Chemistry, 25(4), 314–321.

Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis

Journal of the American Chemical Society, 132(17), 6261–6273.

Hyperfine Interaction, Spin Polarization, and Spin Delocalization as Probes of Donor-Bridge-Acceptor Interactions in Exchange-Coupled Biradicals

JOURNAL OF PHYSICAL CHEMISTRY B, 114(45), 14712–14716.

Magnetic Bistability in a Cobalt Bis(dioxolene) Complex: Long-Lived Photoinduced Valence Tautomerism

INORGANIC CHEMISTRY, 49(7), 3162–3168.

Spin Dependent Internal Conversion

Shultz, D. (2010, October 1). Presented at the NC Photochem: seventh annual North Carolina Photochemistry Symposium.

Electronic Structure and Metal Complexes of Donor-Acceptor Biradicals

Presented at the International Spin Chemistry Meeting.

Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization

Journal of the American Chemical Society, 131(51), 18304–18313.

Part I: Photochemistry without Photons: Electron Transfer Parameters from Electronic Structure Studies of Donor-Acceptor Biradicals

Presented at the Photochemistry Gordon Conference.

Donor-Acceptor Biradicals: From Analogs of Photoinduced Charge-Separated Excited States to Nanoscale Electron Correlation

Presented at the Electron Donor-Acceptor Interactions, Gordon Research Conference, Salve Regina University, Newport, RI.

The Physical Organic Chemistry of Electron Spin Exchange Coupling

Presented at the 32nd Reaction Mechanisms Conference, University of North Carolina at Chapel Hill.

Donor−Acceptor Biradicals as Ground State Analogues of Photoinduced Charge Separated States

Journal of the American Chemical Society, 129(7), 1937–1943.

Influence of Ligand Geometry in Bimetallic Ytterbocene Complexes of Bridging Bis(bipyridyl) Ligands

Organometallics, 26(17), 4234–4242.

Substituent Effects on Exchange Coupling:  5-Aryl-Substituted Semiquinones and Their Complexes with MnIIand CuII

Inorganic Chemistry, 46(1), 273–277.

Design, Synthesis, and Properties of Conformationally Fixed Semiquinone Monoradical Species

The Journal of Organic Chemistry, 71(24), 9104–9113.

Electron Spin−Spin Exchange Coupling Mediated by the Porphyrin π System

Inorganic Chemistry, 45(15), 5752–5759.

Ligand design modulates photoinduced properties of cobalt-dioxolene valence tautomers

CHEMICAL PHYSICS LETTERS, 428(4-6), 400–404.

Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior

Inorganic Chemistry, 45(11), 4461–4467.

Beyond the active-electron approximation: Origin of ferromagnetic exchange in donor-acceptor heterospin biradicals

Kirk, M. L., Shultz, D. A., & Depperman, E. C. (2005, November 17). POLYHEDRON, Vol. 24, pp. 2880–2884.

Supramolecular control of valence-tautomeric equilibrium on nanometer-scale gold clusters

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 127(15), 5328–5329.

Valence tautomerization and exchange coupling in a cobalt-nitronylnitroxide-semiquinone complex

Shultz, D. A., Kumar, R. K., Bin-Salamon, S., & Kirk, M. L. (2005, November 17). POLYHEDRON, Vol. 24, pp. 2876–2879.

Exchange Coupling in Paramagnetic Ligands

Presented at the 2nd Russian Conference on High-Spin Molecules.

New Valence Tautomeric Molecules and Materials

Presented at the International Conference on Molecular Magnetism, Tsukuba, Japan.

Conformational Modulation of Both Exchange and Mixed-Valency in Cross-Conjugated, Open-Shell Molecules

(2003, September 22). Presented at the 8th International Symposium on Spin and Magnetic Field Effects in Chemistry and Related Phenomena, Chapel Hill, North Carolina.

Mechanisms of Exchange Modulation in Trimethylenemethane-type Biradicals:  The Roles of Conformation and Spin Density

Journal of the American Chemical Society, 125(50), 15426–15432.

Nanoparticle composites and nanocapsules for guest encapsulation and methods for synthesizing same

Washington, DC: U.S. Patent and Trademark Office.

New Valence Tautomeric Molecules and Materials

Presented at the Southeastern Regional Meeting of the American Chemical Society, Atlanta, GA.

New paradigm for design of high-spin organic molecules: The mechanism of spin-dependent delocalization in exchange-coupled, mixed-valent organic species

JOURNAL OF PHYSICAL CHEMISTRY A, 107(21), 4292–4299.

Orbital Control of Exchange Coupling in Organic Biradicals

Schultz, D. (2003, November 17). Presented at the Southeastern Regional Meeting of the American Chemical Society, Atlanta, GA.

Polyoxolenes may provide a tool for designing paramagnetic molecules with predetermined spin topologies

Bencini, A., Caneschi, A., Dei, A., Gatteschi, D., Sangregorio, C., Shultz, D., … Vaz, M. G. F. (2003, July). COMPTES RENDUS CHIMIE, Vol. 6, pp. 663–676.

The donor-acceptor contributions to ferromagnetic exchange coupling in heterospin biradicals

Shultz, D. A. (2003, July 15). POLYHEDRON, Vol. 22, pp. 2423–2426.

Trends in exchange coupling for trimethylenemethane-type bis(semiquinone) biradicals and correlation of magnetic exchange with mixed valency for cross-conjugated systems

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 125(38), 11761–11771.

Trends in metal-biradical exchange interaction for first-row M-II(nitronyl nitroxide-semiquinone) complexes

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 125(6), 1607–1617.

High-spin metal complexes containing a ferromagnetically coupled tris(semiquinone) ligand

INORGANIC CHEMISTRY, 41(5), 1086–1092.

New Developments in Semiquinone Chemistry

Presented at the International Council on Mining and Metals, Valencia, Spain.

New Valence Tautomeric Materials

Presented at the Canadian Society of Chemistry.

Singlet-triplet gap in triplet ground-state biradicals is modulated by substituent effects

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 124(34), 10054–10061.

Structure-property relationships in new serniquinone-type ligands: Past, present, and future research efforts

COMMENTS ON INORGANIC CHEMISTRY, 23(1), 1–21.

A bis-bidentate dioxoleneligand induces thermal hysteresis in valence tautomerism interconversion processes

Chemical Communication, (20), 2150–2151.

Charge distribution in bis-dioxolene radical metal complexes. Synthesis and DFT characterization of dinuclear Co(III) and Cr(III) complexes with a mixed-valent, S=1/2 semiquinone-catecholate ligand

INORGANIC CHEMISTRY, 40(7), 1582–1590.

Molecular structure of and exchange coupling in a bis(semiquinone) complex

CHEMICAL COMMUNICATIONS, (01), 93–94.

Observation of a hysteretic phase transition in a crystalline dinitroxide biradical that leads to magnetic bistability

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 123(42), 10403–10404.

One-electron reduction of an antiferromagnetically coupled triradical yields a mixed-valent biradical with enhanced ferromagnetic coupling

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 123(26), 6431–6432.

Spin robustness of a new hybrid inorganic-organic high-spin molecule

Journal of the American Chemical Society, 123(13), 3133–3134.

Structure-property relationships in building blocks for open-shell molecules and materials

SYNTHETIC METALS, 122(3), 495–500.

Structure-property relationships in cross-conjugated, high-spin, dinuclear ligands: building blocks for open-shell molecules and materials

Shultz, D. A. (2001, May 30). POLYHEDRON, Vol. 20, pp. 1627–1631.

Valence Tautomerism in Dioxolene Complexes of Cobalt

In J. S. Miller & M. Drillon (Eds.), Magnetism: Molecules to Materials II: Models and Experiments (pp. 281–306).

Electronic and structural properties of unique semiquinone-like zinc complexes

Presented at the 220th National ACS Meeting, San Francisco, CA.

Ferromagnetically coupled bis(semiquinone) ligand enforces high-spin ground states in bis-metal complexes

INORGANIC CHEMISTRY, 40(2), 408-+.

Molecular structures of carbonyl-linked bis(dioxolene) complexes: Can a carbonyl group act as an effective ferromagnetic coupler?

INORGANIC CHEMISTRY, 40(3), 546–549.

New Organic Building Blocks for Open-Shell Molecules and Materials

Presented at the Central Regional ACS Meeting.

New Organic Building Blocks for Open-Shell Molecules and Materials

Presented at the 220th National ACS Meeting, San Francisco, CA.

Porphyrins as a building block for the assembly of organic molecular magnets

Presented at the 220th National ACS Meeting, San Francisco, CA.

Preparation and EPR spectroscopic investigation of conjugated oligomers containing semiquinone repeat units

CHEMISTRY OF MATERIALS, 12(2), 580–585.

Relationship between phenyl torsion and exchange coupling in diaryl-trimethylenemethane-type dinitroxide biradicals

Presented at the 220th National ACS Meeting, San Francisco, CA.

Spin-spin coupling in semiquinone-substituted porphyrins

Presented at the 220th National ACS Meeting, San Francisco, CA.

Substituent effects on spin distribution in 3-tert-butyl-5-aryl-semiquinones

Presented at the 220th National ACS Meeting, San Francisco, CA.

Synthesis and Properties of Novel Semiquinone Ligands

Presented at the International Council on Mining and Metals, San Antonio, TX.

Synthesis and Properties of Novel Semiquinone Ligands

Presented at the Pacifichem 2000, Symposium 128: Free Radicals, From Molecules to Materials, Honolulu, Hawaii.

Synthesis and structure of a complex having a quartet ground state with three entirely different spin carriers: Nitronyl nitroxide, o-semiquinone, and Cu-II

INORGANIC CHEMISTRY, 39(26), 6091–6093.