UScholar Works
 
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CreatorTitleDescriptionSubjectDate
1 Stang, Peter J.Self-selected formation of single discrete supramolecules with flexible, bidentate ligands in the coordination-driven self-assemblyFlexible donor ligands like 1,2-bis(3-pyridyl)ethyne or 1,4-bis(3-pyridyl)-1,3-butadiyne selfassemble into discrete 2-D supramolecules instead of infinite networks upon combination with organoplatinum 90, 120, and 180 degree acceptor units. These systems are unique examples of versatile pyridine...Bidentate ligands; Flexible donor ligands; Supramolecules; Coordination-driven self-assembly2008
2 Miller, Joel StevenCollinear ferromagnetism and spin orientation in the molecule-based magnets M[N(CN)2]2 (M=Co,Ni)Zero-field unpolarized neutron powder diffraction has been used to study the low-T magnetic structure and T-dependent crystal structure of M[N(CN)2]2 (M=Co,Ni). Both compounds show collinear ferromagnetism with spin orientation along the c axis. The results provide the determination of a complete ma...Magnetic; Diffraction; Structure1999
3 Miller, Joel StevenOptical control of magnetization in a room-temperature magnet: V-Cr Prussian blue analogWe report reversible photoinduced magnetic phenomena for a V-Cr Prussian blue analog (Tc~350 K). This molecule-based magnet exhibits a decrease in magnetization upon illumination with UV light (λ~350 nm) and reaches a metastable state that has a long lifetime at low temperatures (>106 s at 10 K). ...2010-09
4 Stang, Peter J.Self-assembly of coordinative supramolecular polygons with open binding sitesThe design and synthesis of coordinative supramolecular polygons with open binding sites is described. Coordination-driven self-assembly of 2,6-bis(pyridin-4-ylethynyl)pyridine with 60? and 120? organoplatinum acceptors results in quantitative formation of a supramolecular rhomboid and hexagon, resp...2010
5 Miller, Joel StevenStructure of CrIIF(NCMe)2BF4. Rietveld refinement of a component of a physical mixture of unknown compositionThe reaction of CrII(NCMe)4(BF4)2 and [NBun 4][TCNE] (TCNE ¼ tetracyanoethylene) in CH2Cl2 forms a solid that is a mixture of an amorphous reduced-TCNE containing phase(s) and a crystalline component. Rietveld refinement of the high-resolution, synchrotron X-ray powder pattern enabled the determi...Organic-based magnets; Powder X-ray diffraction; Tetracyanoethylene2008
6 Morse, Michael DavidRotationally resolved spectra of Pt?High-resolution laser-induced fluorescence spectroscopy has been used to investigate the 18 163 cm21 band of Pt2 in a supersonically cooled molecular beam. Rotational constants of the ground and excited states were extracted from the rotationally resolved spectrum and determined to be B0'=0.031 754(...2002
7 Miller, Joel StevenCharacterization of novel TCNQ and TCNE 1 : 1 and 1 : 2 salts of the tetrakis(dimethyamino) ethylene dication, [{(CH3)2N}2C-C{N(CH3)2}2]2+Addition of TCNQ to a solution of tetrakis(dimethylamino)ethylene in MeCN produces the salt [TDAE][TCNQ]2; the dipositive cation, [{(CH3)2N}2C-C{N(CH3)2}2]2+, is nonplanar, with a dihedral angle of 63.9(o), while the TCNQ anions crystallize as [TCNQ]2 2- dimers with an interplanar separation of 3.1...Electron; Oxidations; Transfer1996
8 Poulter, Charles DaleLethal mutations in the isoprenoid pathway of salmonella entericaEssential isoprenoid compounds are synthesized using the 2-C-methyl-D-erythritol 4-phosphate (MEP) pathway in many gram-negative bacteria, some gram-positive bacteria, some apicomplexan parasites, and plant chloroplasts. The alternative mevalonate pathway is found in archaea and eukaryotes, includin...Isoprenoids; Mutation; Bacteria; Antimicrobials2006
9 Morse, Michael DavidResonant two-photon ionization spectroscopy of jet-cooled PtSiJet-cooled diatomic PtSi, produced in a laser ablation supersonic expansion source, has been spectroscopically investigated between 17 400 and 24 000 cm-1 by resonant two-photon ionization spectroscopy. Two vibrational progressions are observed and identified as the [15.7]?'=1 ?X 1?+ and [18.5]?'=1 ...1999
10 Poulter, Charles DalePredicting the functions and specificity of triterpenoid synthases: a mechanism-based multi-intermediate docking approachTerpenoid synthases construct the carbon skeletons of tens of thousands of natural products. To predict functions and specificity of triterpenoid synthases, a mechanism-based, multi-intermediate docking approach is proposed. In addition to enzyme function prediction, other potential applications of ...2014-01-01
11 Voth, Gregory AlanMultiscale coarse-graining of the protein energy landscapeA variety of coarse-grained (CG) models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilib...2010-06-24
12 Miller, Joel StevenNoncollinear antiferromagnetic structure of the molecule-based magnet Mn[N(CN)2]2The crystallographic and magnetic properties of the Mn[N(CN)2]2 compound have been investigated by dc magnetization, ac susceptibility, specific heat, and zero-field neutron diffraction on polycrystalline samples. The magnetic structure consists of two sublattices which are antiferromagnetically cou...Spin; Crystal; Magnetic2000
13 Armentrout, Peter B.IR spectroscopy of cationized aliphatic amino acids: stability of charge-solvated structure increases with metal cation sizeAbstract Gas-phase structures of alkali metal cationized (Li+, Na+, K+, Rb+, Cs+) proline (Pro) and N-methyl alanine have been investigated using infrared multiple photon dissociation (IRMPD) spectroscopy utilizing light generated by a free electron laser and computational modeling. Measured IRMPD...2010-11
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