Publications of David A. Shultz

"Preparation of Paramagnetic Ligands for Coordination-Complexes and Networks With Interesting Magnetic Properties," Shultz, D.A.; Boal, A.K.; Driscoll, D.J.; Farmer, G.T.; Hollomon, M.G.; Kitchin, J.R.; Miller, D.B.; Tew, G.N. Mol. Cryst. Liq. Cryst. 1997, 305, 303-310.

"The Biradical, Bis-(3,5-di- tert-butyl-4-phenoxyl)methyleneadamantane, Exhibits Matrix-Dependent EPR Spectra Suggesting Rotamer Bistability with Differential Exchange Coupling," Shultz, D.A.; Boal, A.K.; Farmer, G.T. J. Am. Chem. Soc. 1997, 119, 3846-3847.

"Spin Delocalization in Phenylnitroxide-Substituted Metalloporphyrins," Shultz, D.A.; Gwaltney, K.P.; Lee, H. J. Org. Chem. 1998, 63, 769-774.

"The Effect of Aliphatic Amine Bases on the Aggregation of Alkali Metal Salts of 3,5-Di- tert -butylsemiquinone (3,5-DBSQ)," Shultz, D.A.; Boal, A.K.; Campbell, N.P. Inorg. Chem. 1998, 37, 1540-1543.

"An Improved Method for Estimating ZFS Parameters for Delocalized Biradicals," Shultz, D.A.; Sandberg, K.A. J. Phys. Org. Chem. 1998, 11, 819-824.

"A Modified Procedure for Sonogashira Couplings: Synthesis and Characterization of a Bisporphyrin, 1,1-Bis-[5'-ethynyl-10',15',20'-trimesityl- (Zn)-porphyrinyl]methylenecyclohexane," Shultz, D.A.; Gwaltney, K.P.; Lee, H. J. Org. Chem. 1998, 63, 4034-4038.

"Electrochemical and Spectroelectrochemical Study of a Bis-arylgalvinol-substituted Alkyldisulfide Monolayer and Mixed Monolayers on Polycrystalline Gold," Sagara, T.;* Midorikawa, T.; Shultz, D.A.;* Zhao, Q. Langmuir 1998, 14, 3682-3690.

"Synthesis and Characterization of a Nitroxide-Semiquinone Biradical," Shultz, D.A.; Farmer, G.T. J. Org. Chem. 1998, 63, 6254-6257.

"pH-Gated Single Electron Tunneling in Chemically Modified Au Nanoclusters," Brousseau, L.; Zhao, Q.; Shultz, D.A.; Feldheim, D.L. J. Am. Chem. Soc. 1998, 120, 7645-7646.

"Oxidation of a Bis[Zn(II) porphyrin] Yields a Nondisjoint, Exchange-Coupled Pi Dication-Biradical," Shultz, D.A.; Lee, H.; Gwaltney, K.P. J. Org. Chem. 1998, 63, 7584-7585.

"Synthesis and Electron Paramagnetic Resonance Spectral Characterization of Bis(Semiquinone)s," Shultz, D.A.; Boal, A.K.; Farmer, G.T. J. Org. Chem. 1998, 63, 9462-9469.

"A Semiempirical Computational Assessment of Porphyrins as Building Blocks for Molecule-Based Magnets - Spin-Spin Coupling in Radical-substituted Metalloporphyrins," Shultz, D.A.; Sandberg, K.A. J. Phys. Org. Chem. 1999, 12, 10-18.

"Au Particles as Templates for the Synthesis of Hollow Conductive Polymer Nanocapsules," Marinakos, S.M.; Shultz D.A.; Feldheim, D.L. Adv. Mater. 1999, 11, 34-37.

"Paramagnetic Zinc(II) Complexes of a Bis(Catechol): Dependence of Product Spin-State on Tautomerization of the Bis(Catechol) Ligand," Shultz, D.A.; Bodnar, S.H. Inorg. Chem. 1999, 38, 591-594.

"Structure-Property Relationships in Trimethylenemethane-Type Biradicals. II. Synthesis and EPR Spectral Characterization of Dinitroxide Biradicals," Shultz, D.A.; Boal, A.K.; Lee, H.; Farmer, G.T. J. Org. Chem. 1999, 64, 4386-4396.

"Synthesis and Characterization of a Planarized, Trimethylenemethane-Type Bis(Semiquinone) Biradical," Shultz, D.A.;* Lee, H.; Fico, R.M., Jr. Tetrahedron 1999, 55, 12079-12086.

"Cross-Conjugated Bis(Porphryin)s: Synthesis, Electrochemical Behavior, Mixed Valency, and Biradical Dication Formation," Shultz, D.A.* Lee, H.; Kumar, R.K.; Gwaltney, K.P. J. Org. Chem. 1999, 64, 9124-9136.

"Both an Oxidation/Reduction Sequence and Deprotonation of a Unique Paramagnetic Ligand Lead to a Mixed-Valent Complex," Shultz, D.A.; Bodnar, S.H.; Kumar, R.K.; Kampf, J.W. J. Am. Chem. Soc. 1999, 121, 10664-10665.

"Electronic Properties of Bisporphyrin Biradical Dications," Shultz, D.A.; Lee, H.; Gwaltney, K.P.; Sandberg, K.A. Mol. Cryst. and Liq. Cryst. 1999, 334, 459-467.

"Preparation and EPR Spectroscopic Investigation of Conjugated Oligomers Containing Semiquinone Repeat Units," Shultz, D.A.; Hollomon, M.G. Chem. Mater. 2000, 12, 580-585.

"Synthesis of Nanometer-sized Hollow Polymer Capsules from Alkanethiol-coated Gold Particles," Wu, M.; O'Neill, S.A.; Brousseau, L.C.; McConnell, W.; Shultz, D.A.; Daniel L. Feldheim, D.L.; Linderman, R.J. Chem. Commun. 2000, 775-776.

"Synthesis and Structure of a Complex Having a Quartet Ground State with Three Entirely Different Spin Carriers: Nitronyl Nitroxide, ortho-Semiquinone, and Cu(II)," Shultz, D.A.; Bodnar, S.H.; Vostrikova, K.E.; Kampf, J.W. Inorg. Chem. 2000, 39, 6091-6093.

"A Ferromagnetically Coupled Bis(Semiquinone) Ligand Enforces High-Spin Ground States in Bis-Metal Complexes," Caneschi, A.; Dei, A.; Hyoyoung Lee, H.; Shultz, D.A.; Sorace, L. Inorg. Chem. 2001, 40, 408-411.

"Molecular Structure of and Exchange Coupling in a Bis(Semiquinone) Complex," Shultz, D.A.; Bodnar, S.H.; Kampf, J.W. Chem. Commun. 2001, 93-94.

"Molecular Structures of Carbonyl-Linked Bis(Dioxolene) Complexes: Can a Carbonyl Group Act as an Effective Ferromagnetic Coupler?," Shultz, D.A.; Bodnar, S.H.; Kumar, R.K.; Lee, H.; Kampf, J.W. Inorg. Chem. 2001, 40, 546-549.

"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," Bencini, A.; Daul, C.A.; Dei, A.; Mariotti, F.; Lee, H.; Shultz, D.A.; and Sorace, L. Inorg. Chem. 2001, 40, 1582-1590. 

"Spin Robustness of a New Hybrid Inorganic-Organic High-Spin Molecule," Depperman, E.; Bodnar, S.H.; Vostrikova, K.E.; Shultz, D.A.; Kirk, M.L. J. Am. Chem. Soc. 2001, 123, 3133-3134.

"One-Electron Reduction of an Antiferromagnetically-Coupled Triradical Yields a Mixed-Valent Biradical with Enhanced Ferromagnetic Coupling," Shultz, D.A.; Kumar, R.K. J. Am. Chem. Soc. 2001, 123, 6431-6432.

"Structure-Property Relationships in Cross-Conjugated, High-Spin, Dinuclear Ligands: Building Blocks for Open-Shell Molecules and Materials," Shultz, D.A. Polyhedron 2001, 20, 1627-1631 (ICMM, invited).

"Structure-Property Relationships in Building Blocks for Open-Shell Molecules and Materials," Shultz, D.A. Synth. Met. 2001, 122, 495-500 (J.S. Miller ACS Award Symposium, invited).

"Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability," Shultz,D.A.; Fico, R.M., Jr.; Boyle, P.D.; Kampf, J.W. J. Am. Chem. Soc. 2001, 123, 10403-10404.

"Thermal Hysteresis in Molecule-Based Magnetic Materials can be Induced by Appropriate Dioxolene Ligand Design," Bodnar, S.H.; Caneschi, A.; Dei, A.; Shultz, D.A.; Sorace, L. Chem. Commun. 2001, 2150-2151.

"High-Spin Metal Complexes Containing a Ferromagnetically-Coupled Tris(Semiquinone) Ligand," Caneschi, A.; Dei, A.; Mussari, C.P.; Shultz, D.A. Inorg. Chem. 2002, 41, 1086-1092.

"Structure-Property Relationships in New Semiquinone-Type Ligands - Past, Present, and Future Research Efforts," Shultz, D.A. Comments Inorg. Chem. 2002, 23, 1-21 (invited). 

"The Singlet-Triplet Gap in Triplet Ground-State Biradicals Is Modulated by Substituent Effects,"  Shultz, D. A.; Bodnar, S. H.; Lee, H.; Kampf, J. W.; Incarvito, C. D.; Rheingold, A. L. J. Am. Chem. Soc. 2002, 124, 10054-10061.

"Trends in Metal-Biradical Exchange Interaction for First-Row MII(Nitronyl Nitroxide-Semiquinone) Complexes," Shultz, D. A.; Vostrikova, K. E.; Bodnar, S. H.; Koo, H.-J.; Whangbo, M.-H.; Kirk, M. L.; Depperman, E. C.; Kampf, J. W. J. Am. Chem. Soc. 2003, 125, 1607-1617.

"The Donor-Acceptor Contributions to Exchange Coupling in HeteroSpin Biradicals," Shultz, D. A. Polyhedron 2003, 22, 2423-2426 (ICMM, invited).

"A New Paradigm for Design of High-Spin Organic Molecules: The Mechanism of Spin-dependent Delocalization in Exchange-Coupled Mixed-Valent Organic Species," Franzen, S.; Shultz, D. A.  J. Phys. Chem. A 2003, 107, 4292-4299.

"Trends in Exchange Coupling for Trimethylenemethane-Type Bis(Semiquinone) Biradicals and Correlation of Magnetic Exchange with Mixed Valency for Cross-Conjugated Systems," Shultz, D. A.; Fico, R. M., Jr.; Bodnar, S. H.; Kumar, R. K.; Vostrikova, K. E.; Kampf, J. W.; Boyle, P. D. J. Am. Chem. Soc. 2003, 125, 11761-11771. 

"Mechanisms of Exchange Modulation in Trimethylenemethane-Type Biradicals: The Roles of Conformation and Spin Density," Shultz, D. A.; Fico, R. M., Jr.; Lee, H.; Kampf, J. W.; Kirschbaum, K.; Pinkerton, A. A.; Boyle, P. D. J. Am. Chem. Soc. 2003, 125 , 15426-15432.

"Supramolecular Control of Valence-Tautomeric Equilibrium on Nanometer-Scale Gold Clusters," Bin-Salamon, S.; Brewer, S.; Franzen, S.; Feldheim, D. L.; Lappi, S.; Shultz, D. A. J. Am. Chem. Soc. 2005, 127, 5328-5329.

"Valence Tautomerization and Exchange Coupling in a Cobalt-Nitronylnitroxide-Semiquinone Complex," Shultz, D. A.; Krishna Kumar, R.; Bin-Salamon, S.; Kirk, M. L. Polyhedron 2005, 24, 2876-2879.

"Electron Spin-Spin Exchange Coupling Mediated by the Porphyrin Pi System," Shultz, D. A.; Mussari, C. P.; Ramanathan, K. K.; Kampf, J. W. Inorg. Chem. 2006, 45, 5752-5759.

"Testing Bridge-Mediated Differences in Dinuclear Valence Tautomeric Behavior," Bin-Salamon, S.; Brewer, S. H.; Depperman, E. C.; Franzen, S.; Kampf, J. W.; Kirk, M. L.; Kumar, R. K.; Lappi, S.; Peariso, K.; Preuss, K. E.; Shultz, D. A. Inorg. Chem.; (Article); 2006; 45(11); 4461-4467.

"Ligand Design Modulates Photoinduced Properties of Cobalt-dioxolene Valence Tautomers," Beni, A.; Dei, A.; Shultz, D. A.; Sorace, L. Chem. Phys. Lett. 2006, 428, 400-404.

"Design, Synthesis and Properties of Conformationally Fixed Semiquinone Monoradical Species," Shultz, D. A.; Sloop, J. C.; Washington, G. J. Org. Chem. 2006, 71, 9104-9113.

"Donor-Acceptor Biradicals as Ground State Analogues of Photoinduced Charge Separated States," Kirk, M. L.; Depperman, E. C.; Shultz, D. A.; Brannen, C. L. J. Am. Chem. Soc. 2007, 129, 1937-1943.

"Substituent Effects on Exchange Coupling: 5-Aryl-Substituted Semiquinones and Their Complexes with Mn(II) and Cu(II)," Shultz, D. A.; Sloop, J. C.; Coote, T.-A.; Beikmohammadi, M.; Kampf, J.; Boyle, P. D. Inorg. Chem. 2007, 46, 273-277.

"Ferromagnetic Nanoscale Electron Correlation Promoted by Organic Spin-Dependent Delocalization," Kirk, M. L.; Shultz, D. A.; Schmidt, R. D.; Habel-Rodriguez, D.; Hyoyoung Lee, H.; Lee, J. J. Am. Chem. Soc. 2009, 131, 18304-18313.

"Magnetic Bistability in a Cobalt bis(Dioxolene) Complex: Long-Lived Photoinduced Valence Tautomerism," Shultz, D. A. Schmidt, R. D.; Martin, J. D. Inorg. Chem. 2010, 49, 3162-3168.

"Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photo-Induced Valence Tautomerism and Light-Induced Thermal Hysteresis," Schmidt, R. D.; Shultz, D. A.; Martin, J. D.; Boyle, P. D. J. Am. Chem. Soc. 2010, 132, 6261-6273.

"Hyperfine Interaction, Spin Polarization, and Spin Delocalization as Probes of Donor-Bridge-Acceptor Interactions in Exchange Coupled Biradicals," Kirk, M. L.; Shultz, D. A.; Habel-Rodriguez, D.; Schmidt, R. D.; Sullivan, U. J. Phys. Chem. B 2010, 114, 14712-14716.

"Nitronyl Nitroxide Radicals as Organic Memory Elements with Both n- and p-Type Properties," Lee, J.; Lee, E.; Kim, S.; Bang, G. S.; Shultz, D. A.; Schmidt, R. D.; Forbes, M. D. E.; Lee, H. Angew. Chem. Int. Ed. 2011, 50, 4415-4418.

"Linear Free Energy Relationships in Semiquinone Species and Their Mn(II) and Cu(II) Complexes," Sloop, J. C.; Shultz, D. A.; Beikmohamadi, M. J. Phys. Org. Chem. 2011, 24, in press.

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