Topic
Tetrahedral molecular geometry
About: Tetrahedral molecular geometry is a research topic. Over the lifetime, 1795 publications have been published within this topic receiving 30706 citations.
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TL;DR: The luminescent dinuclear copper complex was obtained from the reaction of CuI with oesq, in which the two copper(I) atoms are triply-bridged, each in a distorted tetrahedral geometry with a Cu…Cu distance of 2.550(1) A as mentioned in this paper.
Abstract: The luminescent dinuclear copper(I) complex [Cu
2
I
2
(oesq)] (oesq = 8,8′-[oxybis(ethylenesulfanyl)]diquinoline) was obtained from the reaction of CuI with oesq, in which the two copper(I) atoms are triply-bridged, each in a distorted tetrahedral geometry with a Cu…Cu distance of 2.550(1) A.
10 citations
TL;DR: In this article, four acceptor-donor-acceptor (A-D-A) type of ADA donor molecules have been designed with π-conjugated rigid tetrahedral geometry in which aromatic ring of three units combined around boron atom bearing a macrocycle core with perpendicular axial ligand.
10 citations
TL;DR: In this article, a modified spin Hamiltonian was proposed to account for all energetically favorable spatial distributions of the valence electrons along the exchange bridges connecting the constituent magnetic ions.
Abstract: We investigate the spectroscopic magnetic excitations in molecular magnets with complex intermediate structure among the magnetic ions. Our approach consists in introducing a modified spin Hamiltonian that allows for discrete coupling parameters accounting for all energetically favorable spatial distributions of the valence electrons along the exchange bridges connecting the constituent magnetic ions. We discuss the physical relevance of the constructed Hamiltonian and derive its eigenvalues. The model is applied to explore the magnetic excitations of the tetrameric molecular magnet Ni4Mo12. Our results are in a very good agreement with the available experimental data. We show that the experimental magnetic excitations in the named tetramer can be traced back to the specific geometry and complex chemical structure of the exchange bridges leading to the splitting and broadness of the peaks centered about 0.5 meV and 1.7 meV.
10 citations
TL;DR: In this paper, the crystal structure of the compound Hg(amtz)2Br2 (amtz= 2-amino-5-methyl-1,3,4-thiadiazole) was determined by X-ray crystallography.
Abstract: The crystal structure of the compound Hg(amtz)2Br2(amtz= 2-amino-5-methyl-1,3,4-thiadiazole) was determined by X-ray crystallography. The compound crystallizes in the triclinic space group P with cell dimensions a= 9.133(2), b= 11.002(2), c= 8.404(2)A, α= 102.65(2), β= 116.80(2), γ= 93.87(2)°, and Z= 2. The structure was solved by the heavy-atom method and refined by least-squares calculations. The structure consists of monomeric discrete molecules, in which the Hg atom is co-ordinated in a distorted tetrahedral geometry by two bromine ions and by two nitrogens of the 2-amino-5-methyl-1,3,4-thiadiazole ligands. Infrared bands are assigned, the 1H, 13C, and 199Hg n.m.r. spectra of the complex have been recorded, and INDO calculations are discussed.
10 citations
TL;DR: In this article, a neutron diffraction study of the atomic structure of deuterated molten ammonium nitrate (N(1)D4N(2)O3) was carried out at 453 K. The results of the total and first order differences demonstrate the existence of stable ND+ 4 and NO- 3 ions in the melt.
Abstract: A neutron diffraction study of the atomic structure of deuterated molten ammonium nitrate (N(1)D4N(2)O3) was carried out at 453 K. The first and second order isotopic difference methods of neutron diffraction were applied to the nitrogen nuclei of the ammonium and nitrate ions. The results of the total and the first order differences demonstrate the existence of stable ND+ 4 and NO- 3 ions in the melt. The ND+ 4 ions conform to a tetrahedral geometry and the NO- 3 ions retain a D 3h symmetry arising from a triangular geometry. The second order difference enabled the determination of the ‘cross’ pair distribution function g N(1)N(2)(r), from which it was concluded that the crystal structure relaxes significantly on melting.
10 citations