An assemblage of hydrous, Cl-bearing alteration-induced minerals is present within 150 m of footwall-style Cu–Ni–PGE sulfide mineralization hosted by the Sudbury Breccia at the Fraser Copper zone, Fraser mine, Onaping–Levack area, Ontario. The pyroxene hornfels to hornblende hornfels contact-metamorphic aureole of the Sudbury Igneous Complex (SIC) contains less than 15 modal % hydroxysilicates....

Based on the generalized gradient approximation of density functional theory, geometric structure and electronic properties intrinsic Ti3C2 Cu-, Pt-, Co-, Si-, F-, Cl- or Br-doped are optimized, adsorption process HCHO surface doped is calculated. The effects energy, stability, DOS doping bond length were discussed. results show that energy crystal plane at top site strongest, −7.58 eV. optimal...

In the asymmetric unit of the title compound {systematic name: 3-chloro-N-[3-chloro-5-(tri-fluoro-meth-yl)pyridin-2-yl]-2,6-di-nitro-4-(tri-fluoro-methyl)-aniline}, C13H4Cl2F6N4O4, which is the fungicide fluazinam, the dihedral angle between the pyridine and benzene ring planes is 42.20 (4)°. In the crystal, pairs of N-H⋯F hydrogen bonds link the mol-ecules into inversion dimers which are linke...

A theoretical study of the beryllium bonds in BeR2:C6X6 (R = H, F, Cl and X = H and F) has been carried out by means of MP2/aug'-cc-pVDZ computational methods. In addition, the ternary complexes BeR2:C6X6:Y- (Y = Cl and Br) have been analyzed. Geometric, energetic and electronic aspects of the complexes have been taken into account. All the parameters analyzed provide a clear indication of favo...

In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formyl-chromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, mol-ecules are linked through stacking inter-actions [centroid-centroid distance between the benzene and py...

For each quadratic form $$Q\in \text{ Quad }(V)$$ on a vector space over field $$\mathbb {K},$$ we can define the Clifford algebra $${{\,\textrm{Cl}\,}}(V,Q)$$ as quotient $${{\,\textrm{T}\,}}(V)/I(Q)$$ of tensor $${{\,\textrm{T}\,}}(V)$$ by two-sided ideal generated expressions $$x\otimes x-Q(x),\, x\in V.$$ In present paper consider whole family $$\{{{\,\textrm{Cl}\,}}(V,Q):\, Q\in }(V)\}$$ i...

The reaction of ('BuO)2Si(Cl)Vi (3) with Li'Bu has been investigated in pentane or toluene (non-polar) and mixtures o f pentane or toluene with THF (polar), respectively, in order to gain information about the influence o f substituents and the polarity o f the solvent on the reaction mechanism. In accord with earlier results, using Me2Si(Cl)Vi (1) [8] or 'Bu2Si(Cl)Vi (2) [5] as precursors, the...

The FeIII-TAML (tetra-amido macrocyclic ligand) activators 1 (Y = Cl) and 2 (Y = H2O), a (R = Me, X = H), b (Me, Cl), c (Me, MeO), d (Et, Cl), e (F, H), f (F, Cl), are five-coordinated in the solid state (X-ray crystallography) but are six-coordinated species in water with two H2O axial ligands. The first pKa's of aqueous ligands are in the range of 9.5-10.5. The acid-induced demetalation of 2 ...