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At high pressures, novel, non-molecular forms of xenon difluoride can be obtained. Under a pressure of ~50 GPa, XeF 2 transforms into a semiconductor consisting of XeF 4 units linked in a two-dimensional structure, like graphite. At even higher pressures, above 70 GPa, it becomes metallic, forming a three-dimensional structure containing XeF 8 ...
Figure 1: Diagram illustrating σ molecular orbitals of the triiodide anion. The σ molecular orbitals (MOs) of triiodide can be constructed by considering the in-phase and out-of-phase combinations of the central atom's p orbital (collinear with the bond axis) with the p orbitals of the peripheral atoms. [12]
Xenon oxydifluoride is an inorganic compound with the molecular formula XeOF 2.The first definitive isolation of the compound was published on 3 March 2007, producing it by the previously-examined route of partial hydrolysis of xenon tetrafluoride.
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Molecular orbital diagram of dinitrogen. With nitrogen, we see the two molecular orbitals mixing and the energy repulsion. This is the reasoning for the rearrangement from a more familiar diagram. The σ from the 2p is more non-bonding due to mixing, and same with the 2s σ. This also causes a large jump in energy in the 2p σ* orbital.
Representative d-orbital splitting diagrams for square planar complexes featuring σ-donor (left) and σ+π-donor (right) ligands. A general d-orbital splitting diagram for square planar (D 4h) transition metal complexes can be derived from the general octahedral (O h) splitting diagram, in which the d z 2 and the d x 2 −y 2 orbitals are degenerate and higher in energy than the degenerate ...
The 3c-4e bond is described as three molecular orbitals given by the combination of a p atomic orbital on the central atom and an atomic orbital from each of the two ligands on opposite sides of the central atom. Only one of the two pairs of electrons is occupying a molecular orbital that involves bonding to the central atom, the second pair ...
Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...