Capped octahedral molecular geometry

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Capped octahedral molecular geometry
Face-capped octahedron.png
ExamplesMoF
7
Point group C3v
Coordination number 7

In chemistry, the capped octahedral molecular geometry describes the shape of compounds where seven atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of a gyroelongated triangular pyramid. This shape has C3v symmetry and is one of the three common shapes for heptacoordinate transition metal complexes, along with the pentagonal bipyramid and the capped trigonal prism. [1] [2]

Examples of the capped octahedral molecular geometry are the heptafluoromolybdate (MoF
7
) and the heptafluorotungstate (WF
7
) ions. [3] [4]

The "distorted octahedral geometry" exhibited by some AX6E1 molecules such as xenon hexafluoride (XeF6) is a variant of this geometry, with the lone pair occupying the "cap" position.

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<span class="mw-page-title-main">Coordination complex</span> Molecule or ion containing ligands datively bonded to a central metallic atom

A coordination complex is a chemical compound consisting of a central atom or ion, which is usually metallic and is called the coordination centre, and a surrounding array of bound molecules or ions, that are in turn known as ligands or complexing agents. Many metal-containing compounds, especially those that include transition metals, are coordination complexes.

<span class="mw-page-title-main">VSEPR theory</span> Model for predicting molecular geometry

Valence shell electron pair repulsion (VSEPR) theory, is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. It is also named the Gillespie-Nyholm theory after its two main developers, Ronald Gillespie and Ronald Nyholm.

<span class="mw-page-title-main">Isolobal principle</span> Method of predicting the bonding properties of certain organometallic compounds

In organometallic chemistry, the isolobal principle is a strategy used to relate the structure of organic and inorganic molecular fragments in order to predict bonding properties of organometallic compounds. Roald Hoffmann described molecular fragments as isolobal "if the number, symmetry properties, approximate energy and shape of the frontier orbitals and the number of electrons in them are similar – not identical, but similar." One can predict the bonding and reactivity of a lesser-known species from that of a better-known species if the two molecular fragments have similar frontier orbitals, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). Isolobal compounds are analogues to isoelectronic compounds that share the same number of valence electrons and structure. A graphic representation of isolobal structures, with the isolobal pairs connected through a double-headed arrow with half an orbital below, is found in Figure 1.

<span class="mw-page-title-main">Octahedral molecular geometry</span> Molecular geometry

In chemistry, octahedral molecular geometry, also called square bipyramidal, describes the shape of compounds with six atoms or groups of atoms or ligands symmetrically arranged around a central atom, defining the vertices of an octahedron. The octahedron has eight faces, hence the prefix octa. The octahedron is one of the Platonic solids, although octahedral molecules typically have an atom in their centre and no bonds between the ligand atoms. A perfect octahedron belongs to the point group Oh. Examples of octahedral compounds are sulfur hexafluoride SF6 and molybdenum hexacarbonyl Mo(CO)6. The term "octahedral" is used somewhat loosely by chemists, focusing on the geometry of the bonds to the central atom and not considering differences among the ligands themselves. For example, [Co(NH3)6]3+, which is not octahedral in the mathematical sense due to the orientation of the N−H bonds, is referred to as octahedral.

The term coordination geometry is used in a number of related fields of chemistry and solid state chemistry/physics.

<span class="mw-page-title-main">Square planar molecular geometry</span>

The square planar molecular geometry in chemistry describes the stereochemistry that is adopted by certain chemical compounds. As the name suggests, molecules of this geometry have their atoms positioned at the corners.

<span class="mw-page-title-main">Technetium hexafluoride</span> Chemical compound

Technetium hexafluoride or technetium(VI) fluoride (TcF6) is a yellow inorganic compound with a low melting point. It was first identified in 1961. In this compound, technetium has an oxidation state of +6, the highest oxidation state found in the technetium halides. In this respect, technetium differs from rhenium, which forms a heptafluoride, ReF7. Technetium hexafluoride occurs as an impurity in uranium hexafluoride, as technetium is a fission product of uranium (spontaneous fission in natural uranium, possible contamination from induced fission inside the reactor in reprocessed uranium). The fact that the boiling point of the hexafluorides of uranium and technetium are very close to each other presents a problem in using fluoride volatility in nuclear reprocessing.

<span class="mw-page-title-main">Pentagonal bipyramidal molecular geometry</span> Molecular structure having atoms at the centre and corners of a pentagonal bipyramid

In chemistry, a pentagonal bipyramid is a molecular geometry with one atom at the centre with seven ligands at the corners of a pentagonal bipyramid. A perfect pentagonal bipyramid belongs to the molecular point group D5h.

<span class="mw-page-title-main">T-shaped molecular geometry</span> Type of molecular geometry

In chemistry, T-shaped molecular geometry describes the structures of some molecules where a central atom has three ligands. Ordinarily, three-coordinated compounds adopt trigonal planar or pyramidal geometries. Examples of T-shaped molecules are the halogen trifluorides, such as ClF3.

A hexafluoride is a chemical compound with the general formula QXnF6, QXnF6m−, or QXnF6m+. Many molecules fit this formula. An important hexafluoride is hexafluorosilicic acid (H2SiF6), which is a byproduct of the mining of phosphate rock. In the nuclear industry, uranium hexafluoride (UF6) is an important intermediate in the purification of this element.

<span class="mw-page-title-main">Iridium hexafluoride</span> Chemical compound

Iridium hexafluoride, also iridium(VI) fluoride, (IrF6) is a compound of iridium and fluorine and one of the seventeen known binary hexafluorides. It is one of only a few compounds with iridium in the oxidation state +6.

<span class="mw-page-title-main">Molybdenum hexafluoride</span> Chemical compound

Molybdenum hexafluoride, also molybdenum(VI) fluoride, is the inorganic compound with the formula MoF6. It is the highest fluoride of molybdenum. It is a colourless solid and melts just below room temperature and boils in 34 °C. It is one of the seventeen known binary hexafluorides.

<span class="mw-page-title-main">Rhodium hexafluoride</span> Chemical compound with formula RhF₆

Rhodium hexafluoride, also rhodium(VI) fluoride, (RhF6) is the inorganic compound of rhodium and fluorine. A black volatile solid, it is a highly reactive material, and a rare example of a rhodium(VI) compound. It is one of seventeen known binary hexafluorides.

<span class="mw-page-title-main">Rhenium hexafluoride</span> Chemical compound

Rhenium hexafluoride, also rhenium(VI) fluoride, (ReF6) is a compound of rhenium and fluorine and one of the seventeen known binary hexafluorides.

<span class="mw-page-title-main">Square antiprismatic molecular geometry</span>

In chemistry, the square antiprismatic molecular geometry describes the shape of compounds where eight atoms, groups of atoms, or ligands are arranged around a central atom, defining the vertices of a square antiprism. This shape has D4d symmetry and is one of the three common shapes for octacoordinate transition metal complexes, along with the dodecahedron and the bicapped trigonal prism.

Ruthenium hexafluoride, also ruthenium(VI) fluoride (RuF6), is a compound of ruthenium and fluorine and one of the seventeen known binary hexafluorides.

<span class="mw-page-title-main">Osmium hexafluoride</span> Chemical compound

Osmium hexafluoride, also osmium(VI) fluoride, (OsF6) is a compound of osmium and fluorine, and one of the seventeen known binary hexafluorides.

In chemistry, tetradentate ligands are ligands that bind four donor atoms to a central atom to form a coordination complex. This number of donor atoms that bind is called denticity and is a method of classifying ligands.

<span class="mw-page-title-main">Capped trigonal prismatic molecular geometry</span>

In chemistry, the capped trigonal prismatic molecular geometry describes the shape of compounds where seven atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of an augmented triangular prism. This shape has C2v symmetry and is one of the three common shapes for heptacoordinate transition metal complexes, along with the pentagonal bipyramid and the capped octahedron.

<span class="mw-page-title-main">Bicapped trigonal prismatic molecular geometry</span>

In chemistry, the bicapped trigonal prismatic molecular geometry describes the shape of compounds where eight atoms or groups of atoms or ligands are arranged around a central atom defining the vertices of a biaugmented triangular prism. This shape has C2v symmetry and is one of the three common shapes for octacoordinate transition metal complexes, along with the square antiprism and the dodecahedron.

References

  1. Roald. Hoffmann; Barbara F. Beier; Earl L. Muetterties; Angelo R. Rossi (1977). "Seven-coordination. A molecular orbital exploration of structure, stereochemistry, and reaction dynamics". Inorganic Chemistry . 16 (3): 511–522. doi:10.1021/ic50169a002.
  2. Wells A.F. (1984) Structural Inorganic Chemistry 5th edition Oxford Science Publications ISBN   0-19-855370-6
  3. Kaupp, Martin (2001). ""Non-VSEPR" Structures and Bonding in d(0) Systems". Angew Chem Int Ed Engl. 40 (1): 3534–3565. doi:10.1002/1521-3773(20011001)40:19<3534::AID-ANIE3534>3.0.CO;2-#. PMID   11592184.
  4. Zhenyang Lin; Ian Bytheway (1996). "Stereochemistry of Seven-Coordinate Main Group and d0 Transition Metal Molecules". Inorganic Chemistry . 35 (3): 594–603. doi:10.1021/ic950271o.