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Journals and Conferences
The correlation consistent Composite Approach (ccCA), which has been shown to achieve chemical accuracy (+/-1 kcal mol-1) for a large benchmark set of main group and s-block metal compounds, is used to compute enthalpies of formation for a set of 17 3d transition metal species. The training set includes a variety of metals, ligands, and bonding types. Using… (More)
One of the key environmental challenges at electric power stations is leachate seepage from ash dumps into the underlying aquifers. Regulatory bodies generally recommend an installation of a liner system to contain toxic leachate at waste landfill sites. An attempt has been made in this study to enhance the engineering and geohydrological properties of fly… (More)
The title compound, [Ag(C(7)H(2)Br(3)O(2))(C(18)H(15)P)(3)], a silver(I) derivative of 3,5,7-tribromo-tropolone, has three triphenyl-phosphine ligands coordinated to the silver centre, whereas the 3,5,7-tribromo-tropolonate anion coordinates as a bidentate ligand. The compound is an example of a five-coordinate silver complex containing a bidentate ligand.
In the title compound, C(11)H(12)ClNO, intra-molecular N-H⋯O hydrogen bonding is present. The dihedral angle between the benzene ring and the pentenone unit is 46.52 (5)°. In the crystal, C-H⋯O inter-actions between hydrogen atoms of the aryl moiety and two separate oxygen atoms occur, leading to a three-dimensional network.
In the title compound, [Rh(C(13)H(16)NO)(C(18)H(15)P)(CO)]·0.5C(3)H(6)O, the Rh atom exhibits a square-planar coordination geometry, being coordinated by the N and O atoms of the bidentate β-diketonato ligand, a P atom from the triphenyl-phosphine unit and a C atom from the carbonyl group. The asymmetric unit also contains a disordered half-mol-ecule, lying… (More)
In the title compound, [PdBr(2)(C(18)H(15)As)(2)], the Pd(II) ion resides on a centre of symmetry and is coordinated by two As atoms [Pd-As = 2.4184 (3) Å] and two Br anions [Pd-Br = 2.4196 (3) Å] in a slightly distorted square-planar geometry [As-Pd-Br = 90.12 (1)°]. The crystal packing exhibits weak inter-molecular C-H⋯Br inter-actions.
The title enamino-ketone, C(12)H(15)NO, is a derivative of 4-(phenyl-amino)-pent-3-en-2-one with an approximately planar pentenone backbone, the greatest displacement from the plane being 0.042 (1) Å; the asymmetry in C-C distances in the group suggests the presence of unsaturated bonds. The dihedral angle between the benzene ring and the pentenone plane is… (More)
The title enamino-ketone, C(11)H(10)Br(2)FNO, has a roughly planar pentenone chain; the maximum displacement of an atom from the pentenone plane is 0.071 (4) Å. The dihedral angle between the benzene ring and the pentenone unit is 77.2 (1)°. Inter-molecular C-H⋯Br and C-H⋯O inter-actions, as well as an intra-molecular N-H⋯O inter-action, are observed. In… (More)
In the title compound, [Rh(C(13)H(16)NO)(CO)(2)], a square-planar coordination geometry is observed around the Rh(I) atom, formed by the N and O atoms of the bidentate ligand and two C atoms from two carbonyl ligands. The Rh(I) atom is displaced from the plane through these surrounding atoms by 0.0085 (2) Å. The dihedral angle between the benzene ring and… (More)