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.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this article, a single crystal X-ray analysis of the PIC-copper(II) complex was performed in an acetonitrile solution and it was shown that the metal ion adopts tetrahedral geometry, while a distorted square pyramidal coordination is also possible in the absence of solvent molecules.
19 citations
TL;DR: The reaction of [Ni(dippe)] 2 (μ-H) 2 with a series of fluoroaromatic imines affords nickel(0) complexes of the type [(Dippe)Ni(η 2 - C, N )−PhHC NR′Ph], dippe = 1,2-bis(diisopropylphosphine)ethane.
19 citations
TL;DR: In this article, a new spherical S−S−S intermolecular force field of the (exp-6) type was derived from eleven Sn cyclic molecular structures, where repulsion bumps were placed at optimized locations on the sulfur atoms to represent lone pair electron repulsion.
Abstract: Elemental sulfur exists in many crystalline forms, with many of these forms being composed of discrete Sn cyclic molecules. Eleven experimentally determined Sn crystal structures are used to define a new spherical S···S intermolecular force field of the (exp-6) type. Evidence is presented that the bonded sulfur atom in these structures is not spherical. The asphericity was modeled by placing repulsion bumps at optimized locations on the sulfur atoms to represent lone pair electron repulsion. The bump locations deviate from perfect tetrahedral geometry, being located more perpendicular to the S−S−S plane. A new aspherical sulfur intermolecular force field was derived from eleven Sn crystal structures. The aspherical force field gives an improved prediction of the Sn crystal structures.
19 citations
TL;DR: In this article, the effects of non-promotional (zeroth-order) hybridization in CH4 were examined and it was concluded that 2s → 2p promotion and/or hybridization does not cause the tetrahedral structure of CH4.
Abstract: Fairly accurate linear‐combination‐of‐atomic‐orbitals molecular‐orbital self‐consistent‐field (LCAO MO SCF) wavefunctions have been calculated for CH4, both with and without the constraint that the first two a1 MO's be the 1s and 2s SCF AO's of the C atom. The calculations were carried out for tetrahedral and distorted‐tetrahedral nuclear configurations, and it was found that the tetrahedral configuration is the most stable both with and without the constraint. To examine the effects of nonpromotional (zeroth‐order) hybridization in CH4, calculations were also carried out in which the s‐type basis functions (and four associated electrons) of the C atom were completely deleted and replaced with an appropriate effective nuclear charge. Again, a tetrahedral methane was obtained. Therefore we conclude that 2s → 2p promotion and/or hybridization does not cause the tetrahedral structure of CH4. Analogous calculations on H2O and NH3 show a decrease in bond angle due to the constraint from 106.7° to 98.1° for H2O...
18 citations
TL;DR: In this paper, a novel 7-hydroxy-4-methyl-8-(p-tolylazo)-2H-1-benzopyran-2-one (coumarin) and their metal complexes with Mn(II, Co(II), Ni(II) Cu(II and Zn(II)) were prepared and characterized by elemental analysis, infrared (IR), proton nuclear magnetic resonance (1H NMR) and mass spectra.
18 citations