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.

Multidimensional Cyanide‐Bridged Heterometallic FeII–CuI and Homometallic CuI Coordination Polymers from Solvothermal Reactions Involving either K3[Fe(CN)6] or KCN as the Source of Cyanide Anions

Abstract: The reaction between K 3 [Fe(CN) 6 ], CuCl 2 .2H 2 O and 1,10-phenanthroline (phen) under hydrothermal conditions gives rise to the formation of the 3D cyanide-bridged heterometallic Fe I I -Cu 1 complex [Fe(CN) 4 (phen) 2 Cu 2 ](1). Its 3D network structure is constructed from two types of fused cyanide-bridged 10- and 14-metal-membered centrosymmetric rings (Fe 2 Cu 8 and Fe 2 Cu 1 2 ), which are defined by the general sequences {(Cu I ) 4 -Fe I I -(Cu I ) 4 -Fe I I ] and {(Cu I ) 6 -Fe I I -(Cu I ) 6 -Fe I I }, respectively. The copper(I) and iron(n) atoms exhibit distorted triangular planar and distorted octahedral coordination environments, respectively. Complex I is the first example of a 3D cyanide-bridged bimetallic complex prepared by hydrothermal methods. The use of methanol as solvent, KCN as source of cyanide anions and 2,2',6,6'-bipyrimidine as the bridging ligand results in the isolation of the 2D homometallic copper(i) complex [Cu 2 (CN) 2 (bpym)].H 2 O (2). Its structure consists of neutral 2D (6,3) honeycomb layers in the ab plane made of fused Cu 6 (CN) 4 (bpym) 2 rings, in which the copper(i) atoms exhibit a distorted tetrahedral geometry. The layers are interdigitated in such a way that the bpym ligands lie above and below the ring cavities of neighbouring networks, with an ABCD repeat sequence of layers. Water molecules are located in the free space between the A/D and B/ C layers. Under the same conditions as used for 1, but with 4-methyl-2,2',6,6'-bipyrimidine 2-oxide instead of phen, the 3D complex [Cu 2 (CN) 2 (mbpym] (3) was obtained (mbpym = 4-methyl-2,2',6,6'-bipyrimidine). During the reaction the oxygen atom of the N-oxide group is eliminated and the novel ligand mpym formed. Its structure consists of distorted tetrahedral copper(i) atoms connected by cyanide and mpym bridging ligands to give rise to a 3D chiral network.

Luminescent monometallic Cu(I) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands

Abstract: A new family of five new mononuclear Cu(I) triphenylphosphine complexes derived from methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands has been synthesized and well characterized. They all show an N2P2 distorted tetrahedral geometry and the methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands display the mono-anionic η2(N1,N2) and charge-neutral η2(N1,N4) chelating coordination modes, along with the 1,2,4-triazolyl ring inversion induced by the NH ↔ N− transformation. These Cu(I) complexes are all emissive in solution and solid states at ambient temperature, which can be well modulated by changing the methyl position on the pyridyl ring and regulating the NH ↔ N− conversion of the 1,2,4-triazolyl ring. It is also shown that the deprotonation of 1,2,4-triazolyl-NH can markedly improve the luminescence properties of Cu(I) complexes.

Extended orientational correlation study for molecular liquids containing distorted tetrahedral molecules: Application to methylene halides

Abstract: The method of Rey [Rey, J. Chem. Phys. 126, 164506 (2007)] for describing how molecules orient toward each other in systems with perfect tetrahedral molecules is extended to the case of distorted tetrahedral molecules of c2v symmetry by means of introducing 28 subgroups. Additionally, the original analysis developed for perfect tetrahedral molecules, based on six groups, is adapted for molecules with imperfect tetrahedral shape. Deriving orientational correlation functions have been complemented with detailed analyses of dipole-dipole correlations. This way, (up to now) the most complete structure determination can be carried out for such molecular systems. In the present work, these calculations have been applied for particle configurations resulting from reverse Monte Carlo computer modeling. These particle arrangements are fully consistent with structure factors from neutron and x-ray diffraction measurements. Here we present a complex structural study for methylene halide (chloride, bromide, and iodid...

Synthesis and Characterization of (THF) 3 Li(NC)CU(C 6 H 3 -2,6-Mes 2 )and Br(THF) 2 Mg(C 6 H 3 -2,6-Trip 2 ) (Mes = C 6 H 2 -2,4,6-Me 3 ; Trip = C 6 H 2 -2,4,6-i-Pr 3 ): The Structures of a Monomeric Lower-Order Lithi

Abstract: The lower-order lithium organocyanocuprate compound, (THF) 3 Li(NC)Cu(C 6 H 3 -2,6-Mes 2 ) (1), and the bulky terphenyl Grignard reagent, Br(THF) 2 Mg(C 6 H 3 -2,6-Trip 2 ) (2), have been synthesized and structurally characterized both in the solid state by single crystal x-ray crystallography and in solution by multi-nuclear NMR and IR spectroscopy. The compound (1) was isolated as a monomeric contact ion-pair in which the C (organic ipso)-Cu-CN-Li atoms are coordinated linearly. The lithium has a tetrahedral geometry as a result of solvation by three THF molecules. The compound (1) is the first example of fully characterized monomeric lower order lithium organocyanocuprate. The bulky Grignard reagent (2) was also isolated as a monomer in which the magnesium, solvated by two THF molecules, has a distorted tetrahedral geometry. The crystals of (1) possess triclinic symmetry with the space group P1, Z = 2, with a = 12.456(3) A, b = 12.508(3) A, c = 13.904(3) A, α = 99.81°, β = 103.72(3)°, and y= 119.44(3)°. The crystals (2) have a monoclinic symmetry of space group P2 1 /c, Z = 4, with a = 13.071(3) A, b = 14.967(3) A, c = 22.070(4) A, and β = 98.95(3)°.