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The impact of valence theory declined during the 1960s and 1970s as molecular orbital theory grew in usefulness as it was implemented in large digital computer programs. Since the 1980s, the more difficult problems, of implementing valence bond theory into computer programs, have been solved largely, and valence bond theory has seen a ...
The bond angle for water is 104.5°. Valence shell electron pair repulsion (VSEPR) theory (/ ˈ v ɛ s p ər, v ə ˈ s ɛ p ər / VESP-ər, [1]: 410 və-SEP-ər [2]) is a model used in chemistry to predict the geometry of individual molecules from the number of electron pairs surrounding their central atoms. [3]
Initially, Linus Pauling's scheme of water as presented in his hallmark paper on valence bond theory consists of two inequivalent lone pairs of σ and π symmetry. [5] As a result of later developments resulting partially from the introduction of VSEPR, an alternative view arose which considers the two lone pairs to be equivalent, colloquially ...
Molecular Orbital Theory vs. Valence Bond Theory has been a topic of debate since the early to mid 1900s. Despite continued heated debate on which model more accurately depict the true bonding scheme of molecules, scientists now view MO and VB theories as complementary and teammates.
In accordance with the VSEPR (valence-shell electron pair repulsion theory), the bond angles between the electron bonds are arccos(− 1 / 3 ) = 109.47°. For example, methane (CH 4) is a tetrahedral molecule. Octahedral: Octa-signifies eight, and -hedral relates to a face of a solid, so "octahedral" means "having eight faces". The bond ...
This would result in the geometry of a regular tetrahedron with each bond angle equal to arccos(− 1 / 3 ) ≈ 109.5°. However, the three hydrogen atoms are repelled by the electron lone pair in a way that the geometry is distorted to a trigonal pyramid (regular 3-sided pyramid) with bond angles of 107°.
The assumption that a covalent bond is a linear combination of atomic orbitals of just the two bonding atoms is an approximation (see molecular orbital theory), but valence bond theory is accurate enough that it has had and continues to have a major impact on how bonding is understood. [1] In valence bond theory, two atoms each contribute an ...
Valence bond theory; Coulson–Fischer theory Generalized valence bond Modern valence bond theory: Molecular orbital theory; Hartree–Fock method Semi-empirical quantum chemistry methods Møller–Plesset perturbation theory Configuration interaction Coupled cluster Multi-configurational self-consistent field Quantum chemistry composite methods