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  2. 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 ...

  3. Atomic orbital - Wikipedia

    en.wikipedia.org/wiki/Atomic_orbital

    In quantum mechanics, an atomic orbital (/ ˈ ɔːr b ɪ t ə l /) is a function describing the location and wave-like behavior of an electron in an atom. [1] This function describes an electron's charge distribution around the atom's nucleus, and can be used to calculate the probability of finding an electron in a specific region around the ...

  4. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    Complete acetylene (H–C≡C–H) molecular orbital set. The left column shows MO's which are occupied in the ground state, with the lowest-energy orbital at the top. The white and grey line visible in some MO's is the molecular axis passing through the nuclei. The orbital wave functions are positive in the red regions and negative in the blue.

  5. Multiplicity (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Multiplicity_(chemistry)

    The multiplicity is often equal to the number of possible orientations of the total spin [3] relative to the total orbital angular momentum L, and therefore to the number of near–degenerate levels that differ only in their spin–orbit interaction energy. For example, the ground state of a carbon atom is 3 P (Term symbol).

  6. Electron shell - Wikipedia

    en.wikipedia.org/wiki/Electron_shell

    In chemistry and atomic physics, an electron shell may be thought of as an orbit that electrons follow around an atom's nucleus.The closest shell to the nucleus is called the "1 shell" (also called the "K shell"), followed by the "2 shell" (or "L shell"), then the "3 shell" (or "M shell"), and so on further and further from the nucleus.

  7. Electronic band structure - Wikipedia

    en.wikipedia.org/wiki/Electronic_band_structure

    A hypothetical example of band formation when a large number of carbon atoms is brought together to form a diamond crystal. The right graph shows the energy levels as a function of the spacing between atoms. When the atoms are far apart (right side of graph) the eigenstates are the atomic orbitals of carbon.

  8. Linear combination of atomic orbitals - Wikipedia

    en.wikipedia.org/wiki/Linear_combination_of...

    where is a molecular orbital represented as the sum of n atomic orbitals , each multiplied by a corresponding coefficient , and r (numbered 1 to n) represents which atomic orbital is combined in the term. The coefficients are the weights of the contributions of the n atomic orbitals to the molecular orbital.

  9. Electron configuration - Wikipedia

    en.wikipedia.org/wiki/Electron_configuration

    For example, chromium hexacarbonyl can be described as a chromium atom (not ion) surrounded by six carbon monoxide ligands. The electron configuration of the central chromium atom is described as 3d 6 with the six electrons filling the three lower-energy d orbitals between the ligands. The other two d orbitals are at higher energy due to the ...