David A. Shultz
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View article: Bridge connectivity effects on photoinduced ground-state electron spin polarization
Bridge connectivity effects on photoinduced ground-state electron spin polarization Open
Transient electron paramagnetic resonance (TREPR) spectroscopy has been used to probe photoinduced electron spin polarization in the recovered ground states of four radical-elaborated (CAT)Pt(bpy) donor-acceptor complexes (CAT = catechol; …
View article: Photoinduced Magnetic Exchange-Jump Promotes Ground State Biradical Electron Spin Polarization
Photoinduced Magnetic Exchange-Jump Promotes Ground State Biradical Electron Spin Polarization Open
Photoinduced electron spin polarization (ESP) is reported in the electronic ground states of three Pt(II) complexes comprised of two S = 1/2 nitronyl nitroxide (NN) radicals attached through different length para-phenylethynyl bridges to t…
View article: Optical Generation and Manipulation of Spin Qubits for Molecular Quantum Information Science (DE-SC0020199 Final Report)
Optical Generation and Manipulation of Spin Qubits for Molecular Quantum Information Science (DE-SC0020199 Final Report) Open
Final Report containing published results and major accomplishments. Major accomplishments during this grant include elucidating the complex mechanisms of photoinduced ground-state electron spin polarization (PIESP) for these complexes. Se…
View article: CCDC 2260982: Experimental Crystal Structure Determination
CCDC 2260982: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2260983: Experimental Crystal Structure Determination
CCDC 2260983: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2260981: Experimental Crystal Structure Determination
CCDC 2260981: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Origin of Ferromagnetic Exchange Coupling in Donor–Acceptor Biradical Analogues of Charge-Separated Excited States
Origin of Ferromagnetic Exchange Coupling in Donor–Acceptor Biradical Analogues of Charge-Separated Excited States Open
A new donor-acceptor biradical complex, TpCum,MeZn(SQ-VD) (TpCum,MeZn+ = zinc(II) hydro-tris(3-cumenyl-5-methylpyrazolyl)borate complex cation; SQ = orthosemiquinone; VD = oxoverdazyl), which is a ground-state analogue of a charge-separate…
View article: Dinuclear ligand-to-ligand charge transfer complexes
Dinuclear ligand-to-ligand charge transfer complexes Open
The synthesis and characterization of dinuclear ligand-to-ligand charge transfer complexes are described.
View article: Competitive reversed quartet mechanisms for photogenerated ground state electron spin polarization
Competitive reversed quartet mechanisms for photogenerated ground state electron spin polarization Open
Different excited state equilibration pathways yield ground-state electron spin polarization of radical-elaborated platinum( ii ) complexes. The equilibration pathways are controlled through designed molecular conformation.
View article: Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes
Variation from closed-shell to open shell electronic structures in oligothiophene bis(dioxolene) complexes Open
A symmetry-based model that explicitly includes the bridge fragment is used to explain a continuum of electronic structures for Kekulé-type biradicals.
View article: CCDC 2206087: Experimental Crystal Structure Determination
CCDC 2206087: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Single-Photon-Induced Electron Spin Polarization of Two Exchange-Coupled Stable Radicals
Single-Photon-Induced Electron Spin Polarization of Two Exchange-Coupled Stable Radicals Open
Transient electron paramagnetic resonance spectroscopy has been used to probe photoinduced electron spin polarization of a stable exchange-coupled organic biradical in a Pt(II) complex comprising 4,4'-di-tert-butyl-2,2'-bipyridine (bpy) an…
View article: Excited State Exchange Control of Photoinduced Electron Spin Polarization in Electronic Ground States
Excited State Exchange Control of Photoinduced Electron Spin Polarization in Electronic Ground States Open
Ground-state electron spin polarization (ESP) is generated in radical elaborated (bpy)Pt(CAT-NN) and (bpy)Pt(CAT-p-Me2PhMe2-NN) (bpy = 5,5'-di-tert-butyl-2,2'-bipyridine, CAT = 3-tert-butylcatecholate, p-Ph = para-phenylene, NN = nitronyln…
View article: Mapping the thermo-induced valence tautomerism in cobalt dioxolane single crystals
Mapping the thermo-induced valence tautomerism in cobalt dioxolane single crystals Open
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View article: Metal Ion Control of Photoinduced Electron Spin Polarization in Electronic Ground States
Metal Ion Control of Photoinduced Electron Spin Polarization in Electronic Ground States Open
Both the sign and intensity of photoinduced electron spin polarization (ESP) in the electronic ground state doublet (2S0/D0) of chromophore-radical complexes can be controlled by changing the nature of the metal ion. The complexes consist …
View article: CCDC 2058452: Experimental Crystal Structure Determination
CCDC 2058452: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2058451: Experimental Crystal Structure Determination
CCDC 2058451: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Controlled Light and Temperature Induced Valence Tautomerism in a Cobalt-o-Dioxolene Complex
Controlled Light and Temperature Induced Valence Tautomerism in a Cobalt-o-Dioxolene Complex Open
The mononuclear cobalt complex of 3,5-di-tert-butylcathecolate and cyan-pyridine (Co(diox)2(4-CN-py)2) is a very versatile compound that displays valence tautomerism (VT) in the solid state, which is induced by temperature, light, and hard…
View article: CCDC 2058453: Experimental Crystal Structure Determination
CCDC 2058453: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Chromophore-radical excited state antiferromagnetic exchange controls the sign of photoinduced ground state spin polarization
Chromophore-radical excited state antiferromagnetic exchange controls the sign of photoinduced ground state spin polarization Open
A change in the sign of the ground state electron spin polarization (ESP) is reported in complexes where an organic radical (nitronylnitroxide, NN) is covalently attached to a donor–acceptor chromophore via two different meta -phenylene br…
View article: A Census of Snowdrifts in Northern Alaska
A Census of Snowdrifts in Northern Alaska Open
Snowdrifts prove less ephemeral than they might seem, occurring in the same places year after year.