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  2. Xenon difluoride - Wikipedia

    en.wikipedia.org/wiki/Xenon_difluoride

    This agrees with the prediction of VSEPR theory, which predicts that there are 3 pairs of non-bonding electrons around the equatorial region of the xenon atom. [1] 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

  3. Three-center four-electron bond - Wikipedia

    en.wikipedia.org/wiki/Three-center_four-electron...

    The I − lone pair acts as a 2-electron donor, while the I 2 σ* antibonding orbital acts as a 2-electron acceptor. [12] Combining the donor and acceptor in in-phase and out-of-phase combinations results in the diagram depicted at right (Figure 2). Combining the donor lone pair with the acceptor σ* antibonding orbital results in an overall ...

  4. Xenon oxydifluoride - Wikipedia

    en.wikipedia.org/wiki/Xenon_oxydifluoride

    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.

  5. VSEPR theory - Wikipedia

    en.wikipedia.org/wiki/VSEPR_theory

    The difference between lone pairs and bonding pairs may also be used to rationalize deviations from idealized geometries. For example, the H 2 O molecule has four electron pairs in its valence shell: two lone pairs and two bond pairs. The four electron pairs are spread so as to point roughly towards the apices of a tetrahedron.

  6. Lone pair - Wikipedia

    en.wikipedia.org/wiki/Lone_pair

    The σ-symmetry lone pair (σ(out)) is formed from a hybrid orbital that mixes 2s and 2p character, while the π-symmetry lone pair (p) is of exclusive 2p orbital parentage. The s character rich O σ(out) lone pair orbital (also notated n O (σ) ) is an ~sp 0.7 hybrid (~40% p character, 60% s character), while the p lone pair orbital (also ...

  7. Xenon hexafluoride - Wikipedia

    en.wikipedia.org/wiki/Xenon_hexafluoride

    The structure of XeF 6 required several years to establish in contrast to the cases of XeF 2 and XeF 4.In the gas phase the compound is monomeric. VSEPR theory predicts that due to the presence of six fluoride ligands and one lone pair of electrons the structure lacks perfect octahedral symmetry, and indeed electron diffraction combined with high-level calculations indicate that the compound's ...

  8. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    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 ...

  9. T-shaped molecular geometry - Wikipedia

    en.wikipedia.org/wiki/T-shaped_molecular_geometry

    According to VSEPR theory, T-shaped geometry results when three ligands and two lone pairs of electrons are bonded to the central atom, written in AXE notation as AX 3 E 2. The T-shaped geometry is related to the trigonal bipyramidal molecular geometry for AX 5 molecules with three equatorial and two axial ligands.