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Full-Text Articles in Physical Sciences and Mathematics
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.