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Orbital overlap can lead to bond formation. The general principle for orbital overlap is that, the greater the greater the over between orbitals, the greater is the bond strength. Linus Pauling explained the importance of orbital overlap in the molecular bond angles observed through experimentation; it is the basis for orbital hybridization.
Double bonds for these heavier elements, when they exist, are often weak due to poor orbital overlap between the n>2 orbitals of the two atoms. Although such compounds are not intrinsically unstable, they instead tend to dimerize or even polymerize. [1]
An example is the [1,3]-hydride shift, in which the interacting frontier orbitals are the allyl free radical and the hydrogen 1s orbitals. The suprafacial shift is symmetry-forbidden because orbitals with opposite algebraic signs overlap. The symmetry allowed antarafacial shift would require a strained transition state and is also unlikely. In ...
The off-diagonal Hamiltonian matrix elements are given by an approximation due to Wolfsberg and Helmholz that relates them to the diagonal elements and the overlap matrix element. [2] = + K is the Wolfsberg–Helmholz constant, and is usually given a value of 1.75. In the extended Hückel method, only valence electrons are considered; the core ...
In chemistry, primarily organic and computational chemistry, a stereoelectronic effect [1] is an effect on molecular geometry, reactivity, or physical properties due to spatial relationships in the molecules' electronic structure, in particular the interaction between atomic and/or molecular orbitals. [2]
In chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory.
The localized orbital corresponding to one O-H bond is the sum of these two delocalized orbitals, and the localized orbital for the other O-H bond is their difference; as per Valence bond theory. For multiple bonds and lone pairs, different localization procedures give different orbitals .
The type of bonding can be explained in terms of orbital hybridisation. In ethylene each carbon atom has three sp 2 orbitals and one p-orbital. The three sp 2 orbitals lie in a plane with ~120° angles. The p-orbital is perpendicular to this plane. When the carbon atoms approach each other, two of the sp 2 orbitals overlap to form a sigma bond.