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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. Molecular orbital - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital

    The qualitative approach of MO analysis uses a molecular orbital diagram to visualize bonding interactions in a molecule. In this type of diagram, the molecular orbitals are represented by horizontal lines; the higher a line the higher the energy of the orbital, and degenerate orbitals are placed on the same level with a space between them.

  4. Bond order - Wikipedia

    en.wikipedia.org/wiki/Bond_order

    Here the sum extends over π molecular orbitals only, and n i is the number of electrons occupying orbital i with coefficients c ri and c si on atoms r and s respectively. Assuming a bond order contribution of 1 from the sigma component this gives a total bond order (σ + π) of 5/3 = 1.67 for benzene, rather than the commonly cited bond order ...

  5. Isolobal principle - Wikipedia

    en.wikipedia.org/wiki/Isolobal_principle

    Figure 5: Molecular orbital diagram depiction of frontier orbitals in methane and a basic ML 6 metal complex. As seen above, when a fragment is formed from CH 4, one of the sp 3 hybrid orbitals involved in bonding becomes a nonbonding singly occupied frontier orbital. The frontier orbital’s increased energy level is also shown in the figure.

  6. Molecular orbital theory - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_theory

    Molecular orbital diagram of He 2. 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 ...

  7. 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 ...

  8. Carbon monoxide - Wikipedia

    en.wikipedia.org/wiki/Carbon_monoxide

    Carbon monoxide (chemical formula CO) is a poisonous, flammable gas that is colorless, odorless, tasteless, and slightly less dense than air. Carbon monoxide consists of one carbon atom and one oxygen atom connected by a triple bond. It is the simplest carbon oxide. In coordination complexes, the carbon monoxide ligand is called carbonyl. It is ...

  9. Spectroscopic notation - Wikipedia

    en.wikipedia.org/wiki/Spectroscopic_notation

    This notation is used to specify electron configurations and to create the term symbol for the electron states in a multi-electron atom. When writing a term symbol, the above scheme for a single electron's orbital quantum number is applied to the total orbital angular momentum associated to an electron state. [4]