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The 18-electron rule is a chemical rule of thumb used primarily for predicting and rationalizing formulas for stable transition metal complexes, especially organometallic compounds. [1] The rule is based on the fact that the valence orbitals in the electron configuration of transition metals consist of five ( n −1)d orbitals, one n s orbital ...
Quantum chemical calculations using density functional theory confirm that Ca, Sr, and Ba can indeed utilize their (n-1)d in bonding to satisfy the 18-electron rule. [1] [6] These computational results support the hypothesis that alkaline earth octacarbonyl complexes follow the 18-electron rule and are comparable to carbonyl transition metal ...
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 ...
In organometallic chemistry, (η 6-C 6 H 6) piano stool compounds are half-sandwich compounds with (η 6-C 6 H 6)ML 3 structure (M = Cr, Mo, W, Mn(I), Re(I) and L = typically CO). (η 6-C 6 H 6) piano stool complexes are stable 18-electron coordination compounds with a variety of chemical and material applications.
From the perspective of the 18-electron rule, the four ligands each provides two electrons, for a total of 16-electrons. As such the compound is coordinatively unsaturated , i.e. susceptible to binding substrates (alkenes and H 2 ).
The reactions are especially favorable for electron-rich arenes: Cr(CO) 6 + C 6 H 5 R → Cr(CO) 3 (C 6 H 5 R) + 3 CO. The products are "piano stool complexes". These species are typically yellow solids. One example is (benzene)chromium tricarbonyl.
The Fe-NO bonds are linear indicating NO is acting as a three electron donor. [3] The diamagnetic compound obeys the 18-electron rule . The dark red colour of the complex is attributed to a number of charge-transfer interactions between the iron core and nitrosyl ligands.
As an approximate rule, electron configurations are given by the Aufbau principle and the Madelung rule. 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 ...