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Since oxygen is more electronegative than the carbon that is covalently bonded to it, the electrons associated with that bond will be closer to the oxygen than the carbon, creating a partial negative charge (δ −) on the oxygen, and a partial positive charge (δ +) on the carbon. They are not full charges because the electrons are still ...
The alkene donates electron density into a π-acid metal d-orbital from a σ-symmetry bonding orbital between the carbon atoms. The metal donates electrons back from a (different) filled d-orbital into the empty π * antibonding orbital. Both of these effects tend to reduce the carbon-carbon bond order, leading to an elongated C−C distance ...
Cyclic compounds that have both carbon and non-carbon atoms present are heterocyclic carbon compounds, and the name refers to inorganic cyclic compounds as well (e.g., siloxanes, which contain only silicon and oxygen in the rings, and borazines, which contain only boron and nitrogen in the rings). [5]
The bond order between carbon and oxygen in carbon dioxide O=C=O is also 2. In phosgene O=CCl 2, the bond order between carbon and oxygen is 2, and between carbon and chlorine is 1. In some molecules, bond orders can be 4 (quadruple bond), 5 (quintuple bond) or even 6 (sextuple bond). For example, potassium octachlorodimolybdate salt (K 4 [Mo 2 ...
NBO analysis distinguishes between covalent, Lewis-type bonding interactions and non-covalent, non-Lewis bonding interaction. The chalcogen bond will be evaluated based on the natural population of the n → σ* orbital. A higher population of this orbital should then also be reflected in changes in the geometry.
The resulting electron configuration can be described in terms of bond type, parity and occupancy for example dihydrogen 1σ g 2. Alternatively it can be written as a molecular term symbol e.g. 1 Σ g + for dihydrogen. Sometimes, the letter n is used to designate a non-bonding orbital. For a stable bond, the bond order defined as
An anti-bonding orbital concentrates electron density "behind" each nucleus (i.e. on the side of each atom which is farthest from the other atom), and so tends to pull each of the two nuclei away from the other and actually weaken the bond between the two nuclei. Electrons in non-bonding orbitals tend to be associated with atomic orbitals that ...
In complexes of metals with these d-electron configurations, the non-bonding and anti-bonding molecular orbitals can be filled in two ways: one in which as many electrons as possible are put in the non-bonding orbitals before filling the anti-bonding orbitals, and one in which as many unpaired electrons as possible are put in. The former case ...