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  2. Bent's rule - Wikipedia

    en.wikipedia.org/wiki/Bent's_rule

    In the case of water, with its 104.5° HOH angle, the OH bonding orbitals are constructed from O(~sp 4.0) orbitals (~20% s, ~80% p), while the lone pairs consist of O(~sp 2.3) orbitals (~30% s, ~70% p). As discussed in the justification above, the lone pairs behave as very electropositive substituents and have excess s character.

  3. Electronegativity - Wikipedia

    en.wikipedia.org/wiki/Electronegativity

    The effect is much larger than could be explained by the negative charge being shared among a larger number of oxygen atoms, which would lead to a difference in pK a of log 10 (1 ⁄ 4) = –0.6 between hypochlorous acid and perchloric acid. As the oxidation state of the central chlorine atom increases, more electron density is drawn from the ...

  4. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The filled MO highest in energy is called the highest occupied molecular orbital (HOMO) and the empty MO just above it is then the lowest unoccupied molecular orbital (LUMO). The electrons in the bonding MO's are called bonding electrons and any electrons in the antibonding orbital would be called antibonding electrons. The reduction in energy ...

  5. Electron counting - Wikipedia

    en.wikipedia.org/wiki/Electron_counting

    For a water molecule (H 2 O), using both neutral counting and ionic counting result in a total of 8 electrons. This figure of the water molecule shows how the electrons are distributed with the covalent counting method. The red ones are the oxygen electrons, and the blue ones are electrons from the hydrogen atoms.

  6. Molecular Hamiltonian - Wikipedia

    en.wikipedia.org/wiki/Molecular_Hamiltonian

    The elementary parts of a molecule are the nuclei, characterized by their atomic numbers, Z, and the electrons, which have negative elementary charge, −e. Their interaction gives a nuclear charge of Z + q, where q = −eN, with N equal to the number of electrons. Electrons and nuclei are, to a very good approximation, point charges and point ...

  7. Electron configurations of the elements (data page) - Wikipedia

    en.wikipedia.org/wiki/Electron_configurations_of...

    Here [Ne] refers to the core electrons which are the same as for the element neon (Ne), the last noble gas before phosphorus in the periodic table. The valence electrons (here 3s 2 3p 3) are written explicitly for all atoms. Electron configurations of elements beyond hassium (element 108) have never been measured; predictions are used below.

  8. Lone pair - Wikipedia

    en.wikipedia.org/wiki/Lone_pair

    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 notated n O (π)) consists of 100% p character. Both models are of value and represent the same total electron density, with the orbitals related by a unitary transformation.

  9. Triple bond - Wikipedia

    en.wikipedia.org/wiki/Triple_bond

    Triple bonds are stronger than the equivalent single bonds or double bonds, with a bond order of three. The most common triple bond is in a nitrogen N 2 molecule; the second most common is that between two carbon atoms, which can be found in alkynes. Other functional groups containing a triple bond are cyanides and isocyanides.

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