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  2. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    Orbital overlap can lead to bond formation. The general principle for orbital overlap is that, the greater the greater the over between orbitals, the greater is the bond strength. Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization.

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    The first dictates that no two electrons in an atom may have the same set of values of quantum numbers (this is the Pauli exclusion principle). These quantum numbers include the three that define orbitals, as well as the spin magnetic quantum number m s. Thus, two electrons may occupy a single orbital, so long as they have different values of m s.

  4. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Bond order is the number of chemical bonds between a pair of atoms. The bond order of a molecule can be calculated by subtracting the number of electrons in anti-bonding orbitals from the number of bonding orbitals, and the resulting number is then divided by two. A molecule is expected to be stable if it has bond order larger than zero.

  5. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    In hydrogen fluoride HF overlap between the H 1s and F 2s orbitals is allowed by symmetry but the difference in energy between the two atomic orbitals prevents them from interacting to create a molecular orbital. Overlap between the H 1s and F 2p z orbitals is also symmetry allowed, and these two atomic orbitals have a small energy separation ...

  6. Quantum number - Wikipedia

    en.wikipedia.org/wiki/Quantum_number

    Four quantum numbers can describe an electron energy level in a hydrogen-like atom completely: Principal quantum number (n) Azimuthal quantum number (ℓ) Magnetic quantum number (m ℓ) Spin quantum number (m s) These quantum numbers are also used in the classical description of nuclear particle states (e.g. protons and neutrons).

  7. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    When the atoms are far apart (right side of graph) the eigenstates are the atomic orbitals of carbon. When the atoms come close enough (left side) that the orbitals begin to overlap, they hybridize into molecular orbitals with different energies. Since there are many atoms, the orbitals are very close in energy, and form continuous bands.

  8. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    The superposition of the two 1s atomic orbitals leads to the formation of the σ and σ* molecular orbitals. Two atomic orbitals in phase create a larger electron density, which leads to the σ orbital. If the two 1s orbitals are not in phase, a node between them causes a jump in energy, the σ* orbital.

  9. 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.