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  2. Molecular electronic transition - Wikipedia

    en.wikipedia.org/.../Molecular_electronic_transition

    This process is denoted as a σ → σ* transition. Likewise, promotion of an electron from a pi-bonding orbital (π) to an antibonding pi orbital (π*) is denoted as a π → π* transition. Auxochromes with free electron pairs (denoted as "n") have their own transitions, as do aromatic pi bond transitions.

  3. Dewar–Chatt–Duncanson model - Wikipedia

    en.wikipedia.org/wiki/Dewar–Chatt–Duncanson...

    On the left, a filled pi-orbital on C 2 H 4 overlaps with an empty d-orbital on the metal. On the right, an empty pi-antibonding orbital on C 2 H 4 overlaps with a filled d-orbital on the metal. The Dewar–Chatt–Duncanson model is a model in organometallic chemistry that explains the chemical bonding in transition metal alkene complexes.

  4. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    The Hückel method or Hückel molecular orbital theory, proposed by Erich Hückel in 1930, is a simple method for calculating molecular orbitals as linear combinations of atomic orbitals. The theory predicts the molecular orbitals for π-electrons in π-delocalized molecules , such as ethylene , benzene , butadiene , and pyridine .

  5. Antibonding molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Antibonding_molecular_orbital

    Antibonding orbitals are often labelled with an asterisk (*) on molecular orbital diagrams. In homonuclear diatomic molecules, σ* ( sigma star ) antibonding orbitals have no nodal planes passing through the two nuclei, like sigma bonds , and π* ( pi star ) orbitals have one nodal plane passing through the two nuclei, like pi bonds .

  6. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    These orbitals and typically given the notation σ (sigma bonding), π (pi bonding), n (occupied nonbonding orbital, "lone pair"), p (unoccupied nonbonding orbital, "empty p orbital"; the symbol n* for unoccupied nonbonding orbital is seldom used), π* (pi antibonding), and σ* (sigma antibonding). (Woodward and Hoffmann use ω for nonbonding ...

  7. Möbius aromaticity - Wikipedia

    en.wikipedia.org/wiki/Möbius_aromaticity

    In contrast to the rarity of Möbius aromatic ground state molecular systems, there are many examples of pericyclic transition states that exhibit Möbius aromaticity. The classification of a pericyclic transition state as either Möbius or Hückel topology determines whether 4N or 4N + 2 electrons are required to make the transition state aromatic or antiaromatic, and therefore, allowed or ...

  8. Sigma-pi and equivalent-orbital models - Wikipedia

    en.wikipedia.org/wiki/Sigma-pi_and_equivalent...

    An analogous consideration applies to water (one O lone pair is in a pure p orbital, another is in an sp x hybrid orbital). The question of whether it is conceptually useful to derive equivalent orbitals from symmetry-adapted ones, from the standpoint of bonding theory and pedagogy, is still a controversial one, with recent (2014 and 2015 ...

  9. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    Carbon and each oxygen atom will have a 2s atomic orbital and a 2p atomic orbital, where the p orbital is divided into p x, p y, and p z. With these derived atomic orbitals, symmetry labels are deduced with respect to rotation about the principal axis which generates a phase change, pi bond ( π ) [ 26 ] or generates no phase change, known as a ...