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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.
As an example, the ground state configuration of the sodium atom is 1s 2 2s 2 2p 6 3s 1, as deduced from the Aufbau principle (see below). The first excited state is obtained by promoting a 3s electron to the 3p subshell, to obtain the 1s 2 2s 2 2p 6 3p 1 configuration, abbreviated as the 3p level.
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 ...
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 ...
The radius ratio rules are a first approximation which have some success in predicting coordination numbers, but many exceptions do exist. [3] In a set of over 5000 oxides, only 66% of coordination environments agree with Pauling's first rule. Oxides formed with alkali or alkali-earth metal cations that contain multiple cation coordinations are ...
For example, if two electrons reside in the same orbital, then their values of n, ℓ, and m ℓ are equal. In that case, the two values of m s (spin) pair must be different. Since the only two possible values for the spin projection m s are +1/2 and −1/2, it follows that one electron must have m s = +1/2 and one m s = −1/2.
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]