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In atomic physics and quantum chemistry, the Aufbau principle (/ ˈ aʊ f b aʊ /, from German: Aufbauprinzip, lit. 'building-up principle'), also called the Aufbau rule, states that in the ground state of an atom or ion, electrons first fill subshells of the lowest available energy, then fill subshells of higher energy. For example, the 1s ...
However there are numerous exceptions; for example the lightest exception is chromium, which would be predicted to have the configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 4 4s 2, written as [Ar] 3d 4 4s 2, but whose actual configuration given in the table below is [Ar] 3d 5 4s 1.
Although this is the general order of orbital filling according to the Madelung rule, there are exceptions, and the actual electronic energies of each element are also dependent upon additional details of the atoms (see Electron configuration § Atoms: Aufbau principle and Madelung rule).
In atomic physics and quantum chemistry, Hund's rules refers to a set of rules that German physicist Friedrich Hund formulated around 1925, which are used to determine the term symbol that corresponds to the ground state of a multi-electron atom. The first rule is especially important in chemistry, where it is often referred to simply as Hund's ...
For example, the nitrogen atom ground state has three unpaired electrons of parallel spin, so that the total spin is 3/2 and the multiplicity is 4. The lower energy and increased stability of the atom arise because the high-spin state has unpaired electrons of parallel spin, which must reside in different spatial orbitals according to the Pauli ...
The naïve application of the aufbau principle leads to a well-known paradox (or apparent paradox) in the basic chemistry of the transition metals. Potassium and calcium appear in the periodic table before the transition metals, and have electron configurations [Ar] 4s 1 and [Ar] 4s 2 respectively, i.e. the 4s-orbital is filled before the 3d ...
An important class of complexes that violate the 18e rule are the 16-electron complexes with metal d 8 configurations. All high-spin d 8 metal ions are octahedral (or tetrahedral), but the low-spin d 8 metal ions are all square planar. Important examples of square-planar low-spin d 8 metal Ions are Rh(I), Ir(I), Ni(II), Pd(II), and Pt(II). At ...
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]