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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The other two p-orbitals, p y and p x, can overlap side-on. The resulting bonding orbital has its electron density in the shape of two lobes above and below the plane of the molecule. The orbital is not symmetric around the molecular axis and is therefore a pi orbital. The antibonding pi orbital (also asymmetrical) has four lobes pointing away ...

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    The p z orbital is the same as the p 0 orbital, but the p x and p y are formed by taking linear combinations of the p +1 and p −1 orbitals (which is why they are listed under the m = ±1 label). Also, the p +1 and p −1 are not the same shape as the p 0 , since they are pure spherical harmonics .

  4. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    A pair of electrons in a bonding orbital creates a bond, whereas a pair of electrons in an antibonding orbital negates a bond. For example, N 2, with eight electrons in bonding orbitals and two electrons in antibonding orbitals, has a bond order of three, which constitutes a triple bond.

  5. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    Electron atomic and molecular orbitals A Bohr diagram of lithium. In atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. [1]

  6. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    The electrons of a single, isolated atom occupy atomic orbitals with discrete energy levels. If two atoms come close enough so that their atomic orbitals overlap, the electrons can tunnel between the atoms. This tunneling splits the atomic orbitals into molecular orbitals with different energies. [2]: 117–122

  7. 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 ...

  8. Valence bond theory - Wikipedia

    en.wikipedia.org/wiki/Valence_bond_theory

    σ bond between two atoms: localization of electron density Two p-orbitals forming a π-bond. The overlapping atomic orbitals can differ. The two types of overlapping orbitals are sigma and pi. Sigma bonds occur when the orbitals of two shared electrons overlap head-to-head, with the electron density most concentrated between nuclei.

  9. Pi bond - Wikipedia

    en.wikipedia.org/wiki/Pi_bond

    Two p-orbitals forming a π-bond. Pi bonds are usually weaker than sigma bonds.The C-C double bond, composed of one sigma and one pi bond, [1] has a bond energy less than twice that of a C-C single bond, indicating that the stability added by the pi bond is less than the stability of a sigma bond.