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  2. Sigma bond - Wikipedia

    en.wikipedia.org/wiki/Sigma_bond

    By this definition, common forms of sigma bonds are s+s, p z +p z, s+p z and d z 2 +d z 2 (where z is defined as the axis of the bond or the internuclear axis). [2] Quantum theory also indicates that molecular orbitals (MO) of identical symmetry actually mix or hybridize .

  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. Isovalent hybridization - Wikipedia

    en.wikipedia.org/wiki/Isovalent_hybridization

    In chemistry, isovalent or second order hybridization is an extension of orbital hybridization, the mixing of atomic orbitals into hybrid orbitals which can form chemical bonds, to include fractional numbers of atomic orbitals of each type (s, p, d). It allows for a quantitative depiction of bond formation when the molecular geometry deviates ...

  5. Localized molecular orbitals - Wikipedia

    en.wikipedia.org/wiki/Localized_molecular_orbitals

    Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...

  6. 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 ...

  7. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    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. The atoms are held together by the electrostatic attraction between the positively charged nuclei and the negatively charged electrons occupying bonding ...

  8. Conjugated system - Wikipedia

    en.wikipedia.org/wiki/Conjugated_system

    Cinnamaldehyde is a naturally-occurring compound that has a conjugated system penta-1,3-diene is a molecule with a conjugated system Diazomethane conjugated pi-system. In theoretical chemistry, a conjugated system is a system of connected p-orbitals with delocalized electrons in a molecule, which in general lowers the overall energy of the molecule and increases stability.

  9. Orbital overlap - Wikipedia

    en.wikipedia.org/wiki/Orbital_overlap

    Pauling proposed that s and p orbitals on the carbon atom can combine to form hybrids (sp 3 in the case of methane) which are directed toward the hydrogen atoms. The carbon hybrid orbitals have greater overlap with the hydrogen orbitals, and can therefore form stronger C–H bonds. [2] A quantitative measure of the overlap of two atomic ...