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In chemistry the polyhedral skeletal electron pair theory (PSEPT) provides electron counting rules useful for predicting the structures of clusters such as borane and carborane clusters. The electron counting rules were originally formulated by Kenneth Wade , [ 1 ] and were further developed by others including Michael Mingos ; [ 2 ] they are ...
The geometry and bonding of a Zintl ion cannot be easily described by classical two electron two center bonding theories; however the geometries Zintl ions can be well described by Wade’s rules of boranes. Wade’s rules offer an alternative model for the relationship between geometry and electron count in delocalized electron deficient ...
In chemistry, the Jemmis mno rules represent a unified rule for predicting and systematizing structures of compounds, usually clusters.The rules involve electron counting. They were formulated by E. D. Jemmis to explain the structures of condensed polyhedral boranes such as B 20 H 16, which are obtained by condensing polyhedral boranes by sharing a triangular face, an edge, a single vertex, or ...
In organometallic chemistry, the isolobal principle (more formally known as the isolobal analogy) is a strategy used to relate the structure of organic and inorganic molecular fragments in order to predict bonding properties of organometallic compounds. [1]
The rule arises because in a centrosymmetric point group, IR active modes, which must transform according to the same irreducible representation generated by one of the components of the dipole moment vector (x, y or z), must be of ungerade (u) symmetry, i.e. their character under inversion is -1, while Raman active modes, which transform ...
The Lennard-Jones Potential is a mathematically simple model for the interaction between a pair of atoms or molecules. [3] [4] One of the most common forms is = [() ()] where ε is the depth of the potential well, σ is the finite distance at which the inter-particle potential is zero, r is the distance between the particles.
In chemistry, the lever rule is a formula used to determine the mole fraction (x i) or the mass fraction (w i) of each phase of a binary equilibrium phase diagram. It can be used to determine the fraction of liquid and solid phases for a given binary composition and temperature that is between the liquidus and solidus line. [1]
According to Wade's rules (2n+2) the number of cluster electrons is 22 and therefore a closo cluster. The compound is prepared from oxidation of K 4 Pb 9 [15] by Au + in PPh 3 AuCl (by reaction of tetrachloroauric acid and triphenylphosphine) in ethylene diamine with 2.2.2-crypt.