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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    If the two 1s orbitals are not in phase, a node between them causes a jump in energy, the σ* orbital. From the diagram you can deduce the bond order, how many bonds are formed between the two atoms. For this molecule it is equal to one. Bond order can also give insight to how close or stretched a bond has become if a molecule is ionized. [12]

  3. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    To summarize, we are assuming that: (1) the energy of an electron in an isolated C(2p z) orbital is =; (2) the energy of interaction between C(2p z) orbitals on adjacent carbons i and j (i.e., i and j are connected by a σ-bond) is =; (3) orbitals on carbons not joined in this way are assumed not to interact, so = for nonadjacent i and j; and ...

  4. Orbital hybridisation - Wikipedia

    en.wikipedia.org/wiki/Orbital_hybridisation

    Chemist Linus Pauling first developed the hybridisation theory in 1931 to explain the structure of simple molecules such as methane (CH 4) using atomic orbitals. [2] Pauling pointed out that a carbon atom forms four bonds by using one s and three p orbitals, so that "it might be inferred" that a carbon atom would form three bonds at right angles (using p orbitals) and a fourth weaker bond ...

  5. Oxonium ion - Wikipedia

    en.wikipedia.org/wiki/Oxonium_ion

    Hydronium is one of a series of oxonium ions with the formula R n H 3−n O +.Oxygen is usually pyramidal with an sp 3 hybridization.Those with n = 1 are called primary oxonium ions, an example being protonated alcohol (e.g. methanol).

  6. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.

  7. Woodward–Hoffmann rules - Wikipedia

    en.wikipedia.org/wiki/Woodward–Hoffmann_rules

    To make the analysis precise, one can construct the state correlation diagram for the general [4+2]-cycloaddition. [20] As before, the ground state is the electronic state depicted in the molecular orbital correlation diagram to the right. This can be described as Ψ 1 2 π 2 Ψ 2 2, of total symmetry S 2 S 2 A 2 =S.

  8. Triatomic molecule - Wikipedia

    en.wikipedia.org/wiki/Triatomic_molecule

    Ozone, O 3 is an example of a triatomic molecule with all atoms the same. Triatomic hydrogen, H 3, is unstable and breaks up spontaneously. H 3 +, the trihydrogen cation is stable by itself and is symmetric. 4 He 3, the helium trimer is only weakly bound by van der Waals force and is in an Efimov state. [1] Trisulfur (S 3) is analogous to ozone.

  9. Methenium - Wikipedia

    en.wikipedia.org/wiki/Methenium

    3 CN to form the ion (CH 3) 2 CN +. [5] Upon capture of a low-energy electron (less than 1 eV), it will spontaneously dissociate. [6] It is seldom encountered as an intermediate in the condensed phase. It is proposed as a reactive intermediate that forms upon protonation or hydride abstraction of methane with FSO 3 H-SbF 5.