Quantum chemical calculations of equilibrium copper (I) isotope fractionations in ore-forming fluids
We calculated the equilibrium isotope fractionation of Cu (I) complexes in hydrothermal ore-
forming fluids using quantum chemical calculations (based on the density functional theory …
forming fluids using quantum chemical calculations (based on the density functional theory …
Structural effects in molecular metal halides
M Hargittai - Accounts of chemical research, 2009 - ACS Publications
Metal halides are a relatively large class of inorganic compounds that participate in many
industrial processes, from halogen metallurgy to the production of semiconductors. Because …
industrial processes, from halogen metallurgy to the production of semiconductors. Because …
The nature of bond critical points in dinuclear copper (I) complexes
Closed‐shell contacts between two copper (I) ions are expected to be repulsive. However,
such contacts are quite frequent and are well documented. Crystallographic characterization …
such contacts are quite frequent and are well documented. Crystallographic characterization …
C–H amination chemistry mediated by trinuclear Cu (i) sites supported by a ligand scaffold featuring an arene platform and tetramethylguanidinyl residues
Tripodal ligands that can encapsulate single or multiple metal sites in C3-symmetric
geometric configurations constitute valuable targets for novel catalysts. Of particular interest …
geometric configurations constitute valuable targets for novel catalysts. Of particular interest …
Characterization of Cu-ZSM-5 prepared by solid-state ion exchange of H-ZSM-5 with CuCl
Y Zhang, IJ Drake, AT Bell - Chemistry of materials, 2006 - ACS Publications
The solid-state ion exchange (SSIE) of H-ZSM-5 by CuCl vapor was investigated with the
objective of establishing the effects of the temperature at which exchange is carried out on …
objective of establishing the effects of the temperature at which exchange is carried out on …
Chemical characterization of polymer and chloride content in waste plastic materials using pyrolysis–direct analysis in real time–high-resolution mass spectrometry
E Halpern, L Heirty, C West, Y Li, WM Kim… - … Science: Processes & …, 2025 - pubs.rsc.org
The increasing global demand for plastic has raised the need for effective waste plastic
management due to its long lifetime and resistance to environmental degradation. There is a …
management due to its long lifetime and resistance to environmental degradation. There is a …
Structure and Bonding in Silver Halides. A Quantum Chemical Study of the Monomers: Ag2X, AgX, AgX2, and AgX3 (X = F, Cl, Br, I)
HC Müller-Rösing, A Schulz… - Journal of the American …, 2005 - ACS Publications
The molecular structure of all silver halide monomers, Ag2X, AgX, AgX2, and AgX3,(X= F,
Cl, Br, I), have been calculated at the B3LYP, MP2, and CCSD (T) levels of theory by using …
Cl, Br, I), have been calculated at the B3LYP, MP2, and CCSD (T) levels of theory by using …
Nitrene-Transfer Chemistry to C–H and C═ C Bonds Mediated by Triangular Coinage Metal Platforms Supported by Triply Bridging Pnictogen Elements Sb (III) and Bi …
Tripodal ligands (TMG3trphen-E) that feature heavy pnictogen elements (E= Sb (III), Bi (III))
and tetramethylguanidinyl (TMG) arms have been explored in stabilizing Cu (I) and Ag (I) …
and tetramethylguanidinyl (TMG) arms have been explored in stabilizing Cu (I) and Ag (I) …
π-Rich σ2P-Heterocycles: Bent η1-P- and μ2-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes
M Ghalib, PG Jones, C Schulzke, D Sziebert… - Inorganic …, 2015 - ACS Publications
The reaction of 1-neopentyl-1, 3-benzazaphosphole 1 with CuCl, CuBr, or Cu (SMe2) Br in
THF at room temperature provides sparingly soluble [Cu7 (μ2-L6)(μ2-X7)]+[CuX2]− cluster …
THF at room temperature provides sparingly soluble [Cu7 (μ2-L6)(μ2-X7)]+[CuX2]− cluster …
Cu3 (μ2-Cl) 3 and Ag3 (μ2-Cl) 3 Complexes Supported by Tetradentate Trisphosphino-stibine and-bismuthine Ligands: Structural Evidence for Triply Bridging Heavy …
IS Ke, FP Gabbaï - Australian Journal of Chemistry, 2013 - CSIRO Publishing
The tetradentate stibine and bismuthine ligands (o-(iPr2P) C6H4) 3Sb (LSbP3) and (o-
(iPr2P) C6H4) 3Bi (LBiP3) react with CuCl and AgCl in THF at room temperature to afford (o …
(iPr2P) C6H4) 3Bi (LBiP3) react with CuCl and AgCl in THF at room temperature to afford (o …