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  2. Molecular orbital diagram - Wikipedia

    en.wikipedia.org/wiki/Molecular_orbital_diagram

    A diatomic molecular orbital diagram is used to understand the bonding of a diatomic molecule. MO diagrams can be used to deduce magnetic properties of a molecule and how they change with ionization. They also give insight to the bond order of the molecule, how many bonds are shared between the two atoms. [12]

  3. Isoelectronicity - Wikipedia

    en.wikipedia.org/wiki/Isoelectronicity

    Molecular orbital diagrams best illustrate isoelectronicity in diatomic molecules, showing how atomic orbital mixing in isoelectronic species results in identical orbital combination, and thus also bonding. More complex molecules can be polyatomic also. For example, the amino acids serine, cysteine, and selenocysteine are all isoelectronic to ...

  4. 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.

  5. Metal carbonyl - Wikipedia

    en.wikipedia.org/wiki/Metal_carbonyl

    The highest occupied molecular orbital of CO is a σ MO Energy level scheme of the σ and π orbitals of carbon monoxide The lowest unoccupied molecular orbital (LUMO) of CO is a π* antibonding MO Diagram showing synergic π backbonding in transition metal carbonyls. Carbon monoxide bonds to transition metals using "synergistic pi* back ...

  6. Multiplicity (chemistry) - Wikipedia

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

    The highest occupied orbital energy level of dioxygen is a pair of antibonding π* orbitals. In the ground state of dioxygen, this energy level is occupied by two electrons of the same spin, as shown in the molecular orbital diagram. The molecule, therefore, has two unpaired electrons and is in a triplet state.

  7. HOMO and LUMO - Wikipedia

    en.wikipedia.org/wiki/HOMO_and_LUMO

    Diagram of the HOMO and LUMO of a molecule. Each circle represents an electron in an orbital; when light of a high enough frequency is absorbed by an electron in the HOMO, it jumps to the LUMO. 3D model of the highest occupied molecular orbital in CO 2 3D model of the lowest unoccupied molecular orbital in CO 2

  8. Sigma-pi and equivalent-orbital models - Wikipedia

    en.wikipedia.org/wiki/Sigma-pi_and_equivalent...

    An analogous consideration applies to water (one O lone pair is in a pure p orbital, another is in an sp x hybrid orbital). The question of whether it is conceptually useful to derive equivalent orbitals from symmetry-adapted ones, from the standpoint of bonding theory and pedagogy, is still a controversial one, with recent (2014 and 2015 ...

  9. Walsh diagram - Wikipedia

    en.wikipedia.org/wiki/Walsh_diagram

    Walsh diagrams in conjunction with molecular orbital theory can also be used as a tool to predict reactivity. By generating a Walsh Diagram and then determining the HOMO/LUMO of that molecule, it can be determined how the molecule is likely to react. In the following example, the Lewis acidity of AH 3 molecules such as BH 3 and CH 3 + is predicted.