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  2. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    In chemical bonds, an orbital overlap is the concentration of orbitals on adjacent atoms in the same regions of space. Orbital overlap can lead to bond formation. Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization.

  3. Hückel method - Wikipedia

    en.wikipedia.org/wiki/Hückel_method

    Transition electric dipole, magnetic dipole and electric quadrupole moments interactions result in optical rotation(OR), which can be described by both tensor components and chemical geometries. The in phase overlap of two molecular orbitals yield negative charge while depleting charge out of phase.

  4. Möbius–Hückel concept - Wikipedia

    en.wikipedia.org/wiki/Möbius–Hückel_concept

    It is seen that there are four orbitals in this cyclic array. Thus in the interconversion reactions orbitals 1 and 4 overlap either in a conrotatory or a disrotatory fashion. Also, it is seen that the conrotation involves one plus–minus overlap as drawn while the disrotation involves zero plus–minus overlaps as drawn.

  5. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The MO diagram for diboron (B-B, electron configuration 1σ g 2 1σ u 2 2σ g 2 2σ u 2 1π u 2) requires the introduction of an atomic orbital overlap model for p orbitals. The three dumbbell-shaped p-orbitals have equal energy and are oriented mutually perpendicularly (or orthogonally).

  6. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    The shapes of the first five atomic orbitals are 1s, 2s ... ℓ describes the orbital angular momentum of each electron and is a non-negative ... Orbital overlap;

  7. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    These coefficients can be positive or negative, depending on the energies and symmetries of the individual atomic orbitals. As the two atoms become closer together, their atomic orbitals overlap to produce areas of high electron density, and, as a consequence, molecular orbitals are formed between the two atoms.

  8. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Atomic orbitals must also overlap within space. They cannot combine to form molecular orbitals if they are too far away from one another. Atomic orbitals must be at similar energy levels to combine as molecular orbitals. Because if the energy difference is great, when the molecular orbitals form, the change in energy becomes small.

  9. Ligand field theory - Wikipedia

    en.wikipedia.org/wiki/Ligand_field_theory

    In the usual analysis, the p-orbitals of the metal are used for σ bonding (and have the wrong symmetry to overlap with the ligand p or π or π * orbitals anyway), so the π interactions take place with the appropriate metal d-orbitals, i.e. d xy, d xz and d yz. These are the orbitals that are non-bonding when only σ bonding takes place.