Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 10 of 10
Full-Text Articles in Physical Sciences and Mathematics
Matlab Processing Scripts To Accompany Spatially Resolved Measurements Of Crosslinking In Uv-Curable Coatings Using Single-Sided Nmr, Madeline Brass, Frances Jude Morin, Tyler Meldrum
Matlab Processing Scripts To Accompany Spatially Resolved Measurements Of Crosslinking In Uv-Curable Coatings Using Single-Sided Nmr, Madeline Brass, Frances Jude Morin, Tyler Meldrum
Data
These Matlab scripts are used to import CPMG data collected using a Kea spectrometer (through the program Prospa), and to process each echo using the Fourier transformation. This provides spatially resolved NMR relaxation data that can be fitted or subjected to inverse Laplace transformation (not provided) to characterize relaxation at different positions within a sample.
Tetragonal Diiodotetrapyridinedicopper(I): Structure, Luminescence, And Computational Modeling, Andrew W. Kelly, Joseph V. Handy, Aaron D. Nicholas, Et Al., Robert D. Pike
Tetragonal Diiodotetrapyridinedicopper(I): Structure, Luminescence, And Computational Modeling, Andrew W. Kelly, Joseph V. Handy, Aaron D. Nicholas, Et Al., Robert D. Pike
Arts & Sciences Articles
We report on a new crystal modification of (CuIPy2) n (Py = pyridine), a compound first reported by White et al. In contrast to White’s orthorhombic structure, which is comprised of rhomboid iodide-bridged dimers, Cu2I2Py4, our new tetragonal crystal structure in space group P41212 is disordered and can be interpreted as either iodide-bridged dimers or helical chains. To determine the structure type, variable temperature X-ray diffraction and luminescence measurements were carried out. The photoluminescence spectrum shows a distinct cluster-centered transition at high excitation energies which is consistent with the dimer structure. DFT and TD-DFT calculations were performed to explain …
Light-Induced Photochemical Changes In Copper(I) Thiocyanate Complexes Decorated With Halopyridines: Optical Memory Manifestation, Aaron D. Nicholas, Brooke M. Otten, Gerardo Ayala, Et Al., Robert D. Pike
Light-Induced Photochemical Changes In Copper(I) Thiocyanate Complexes Decorated With Halopyridines: Optical Memory Manifestation, Aaron D. Nicholas, Brooke M. Otten, Gerardo Ayala, Et Al., Robert D. Pike
Arts & Sciences Articles
We report on the photoluminescence of {CuSCN(3-XPy)2}n crystals (X = Br, Cl; Py = pyridine). Laser excitation at 266 nm for CuSCN(3-BrPy)2 at 78 K results in a decrease in the luminescence intensity with increasing irradiation time. Heating the sample to 298 K and recooling to 78 K results in recovery of the original luminescence intensity, hence manifesting an optical memory effect. Laser irradiation at longer or shorter wavelengths fails to produce a reduction in emission intensity. Interestingly, CuSCN(3-ClPy)2, despite being isomorphic, does not undergo emission intensity changes regardless of laser irradiation wavelength variation. Density functional theory (DFT) and …
Metal Substitution And Solvomorphism In Alkylthiolate-Bridged Zn3 And Hgzn2 Metal Clusters, Madeline R. Hallinger, Alison C. Gerhard, Mikhaila D. Ritz, Et Al., John C. Poutsma, Robert D. Pike
Metal Substitution And Solvomorphism In Alkylthiolate-Bridged Zn3 And Hgzn2 Metal Clusters, Madeline R. Hallinger, Alison C. Gerhard, Mikhaila D. Ritz, Et Al., John C. Poutsma, Robert D. Pike
Arts & Sciences Articles
The impact of substituting Hg(II) for Zn(II) in a thiolate-bridged trinuclear cluster with parallels to a metallothionein metal cluster was investigated. A new solvomorph of [Zn(ZnL)2](ClO4)2 (1) (L = N-(2-pyridylmethyl)-N-(2-(ethylthiolato)-amine) and five solvomorphs of a new compound [Hg(ZnL)2](ClO4)2 (2) were characterized by single-crystal X-ray crystallography. The interplay of hydrogen bonding and aromatic-packing interactions in producing lamellar, 2D lamellar, and columnar arrangements of complex cations in the crystalline state is discussed. Both variable temperature proton nuclear magnetic resonance and electrospray ion-mass spectrometry (ESI-MS) suggest that the complex ions of 1 and 2 are the predominant solution species at …
Iodobismuthate(Iii) And Iodobismuthate(Iii)/Iodocuprate(I) Complexes With Organic Ligands, Andrew W. Kelly, Amelia M. Wheaton, Aaron D. Nicholas, Francis H. Barnes, Howard H. Patterson, Robert D. Pike
Iodobismuthate(Iii) And Iodobismuthate(Iii)/Iodocuprate(I) Complexes With Organic Ligands, Andrew W. Kelly, Amelia M. Wheaton, Aaron D. Nicholas, Francis H. Barnes, Howard H. Patterson, Robert D. Pike
Arts & Sciences Articles
Iodobismuthate(III) and iodobismuthate(III)/cuprate(I) complexes with chelating and bridging organic ligands are structurally characterized, including the first iodobismuthate(III) metal–organic polymers. BiIII/CuI clusters show ligand binding at copper. Diffuse reflectance spectra show UV/Vis absorptions, and DFT calculations suggest MLCT and metal–halide centered transitions.
Numerical Simulations Of The Biogeochemical Impact Of Atmospheric Nitrogen Deposition On Surface Waters Of The Western North Atlantic, Pierre St-Laurent, Marjorie A.M. Friedrichs
Numerical Simulations Of The Biogeochemical Impact Of Atmospheric Nitrogen Deposition On Surface Waters Of The Western North Atlantic, Pierre St-Laurent, Marjorie A.M. Friedrichs
Data
The impacts of atmospheric nitrogen deposition on the chlorophyll and nitrogen dynamics of surface waters in the western North Atlantic (25-45N, 65-80W) were examined with a biogeochemical ocean model forced with a regional atmospheric chemistry model. The model simulations cover the period 2004 to 2008 and are fully described in the following reference: St-Laurent, P., et al., Impacts of atmospheric nitrogen deposition on surface waters of the western North Atlantic mitigated by multiple feedbacks, J. Geophys. Res. Oceans, vol.122, doi:10.1002/2017jc013072.
Associated Dataset: Assimilating Bio-Optical Glider Data During A Phytoplankton Bloom In The Southern Ross Sea, Daniel E. Kaufman, Marjorie A.M. Friedrichs, John C.P. Hemmings, Walker O. Smith
Associated Dataset: Assimilating Bio-Optical Glider Data During A Phytoplankton Bloom In The Southern Ross Sea, Daniel E. Kaufman, Marjorie A.M. Friedrichs, John C.P. Hemmings, Walker O. Smith
Data
No abstract provided.
Parsing The Aggregation- And Photodegradation-Induced Effects Of Rhodamine-Sensitized Tio2 And Zro2 Films, James Cassidy
Parsing The Aggregation- And Photodegradation-Induced Effects Of Rhodamine-Sensitized Tio2 And Zro2 Films, James Cassidy
Dissertations, Theses, and Masters Projects
The impact of rhodamine aggregates on the photophysical properties of rhodamine dyes adsorbed to TiO2 were investigated using diffuse reflectance spectroscopy, steady-state fluorescence, and time-correlated single photon counting (TCSPC). Photocatalyzed de-alkylation of rhodamine dyes containing tertiary amine groups (5-ROX, R101, and RB) was observed on TiO2, which resulted in a ~50 nm hypsochromic shift. Therefore, concentration dependent diffuse reflectance spectra of R560/TiO2 samples, which contained primary amines, demonstrated the formation of H- and J-aggregates at the expense of the monomers. The formation of J-aggregates resulted in FRET between monomers and J-aggregates which yielded a bathochromic shifted fluorescence spectra as a …
Synthesis Of [2.2.2]-Diazabicyclic Alkaloids: I: Diels-Alder Reactions Of A C2-Carboxy Pyrazinone & Ii: Intermolecular Diels-Alder Reaction Of A Proline Derived Pyrazinone With Symmetric Dienophiles, Jonathan Clarence Perkins
Synthesis Of [2.2.2]-Diazabicyclic Alkaloids: I: Diels-Alder Reactions Of A C2-Carboxy Pyrazinone & Ii: Intermolecular Diels-Alder Reaction Of A Proline Derived Pyrazinone With Symmetric Dienophiles, Jonathan Clarence Perkins
Dissertations, Theses, and Masters Projects
[2.2.2]-Diazabicyclic alkaloids are a natural product family with diverse biological activities. The development of a synthetic methods towards the synthesis of [2.2.2]-diazabicyclic alkaloids is described. I: Diels-Alder Reactions of a C2-Carboxy Pyrazinone Using an N-heterocyclic carbene catalyzed aroylation of a proline 3,5-dichloropyrazinone, a synthetic route to C2-carboxy pyrazinones was developed to study the intermolecular and intramolecular Diels-Alder reactions of these compounds to form the bicyclo[2.2.2]diazaoctane core. Studies showed that having oxidation present α to the pyrazinone ring did not provide any significant increase in reactivity or selectivity as compared to pyrazinones without oxidation α to the ring. In some cases, …
Investigating The Charge-Transfer Dynamics Of Single-Molecule Sensitizers, Jenna Tan
Investigating The Charge-Transfer Dynamics Of Single-Molecule Sensitizers, Jenna Tan
Dissertations, Theses, and Masters Projects
Dye-sensitized solar cells (DSSCs) can reduce the cost of photovoltaic electricity generation to meet global energy needs. Optimizing DSSC efficiency requires a detailed understanding of the underlying charge transfer processes at the dye-semiconductor interface. By modifying the sensitizer structure, we gain insight into these charge transfer mechanisms. In this thesis, two hydroxyanthraquinone dyes are compared to investigate the impact of structure on charge-transfer and photobleaching dynamics. A combination of ensemble-averaged and single-molecule spectroscopy approaches are used to interpret the underlying ET kinetics.