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As such, the predicted shape and bond angle of sp 3 hybridization is tetrahedral and 109.5°. This is in open agreement with the true bond angle of 104.45°. The difference between the predicted bond angle and the measured bond angle is traditionally explained by the electron repulsion of the two lone pairs occupying two sp 3 hybridized orbitals.
Lone pairs (shown as pairs of dots) in the Lewis structure of hydroxide. In chemistry, a lone pair refers to a pair of valence electrons that are not shared with another atom in a covalent bond [1] and is sometimes called an unshared pair or non-bonding pair. Lone pairs are found in the outermost electron shell of atoms.
Localized molecular orbitals are molecular orbitals which are concentrated in a limited spatial region of a molecule, such as a specific bond or lone pair on a specific atom. They can be used to relate molecular orbital calculations to simple bonding theories, and also to speed up post-Hartree–Fock electronic structure calculations by taking ...
The difference between lone pairs and bonding pairs may also be used to rationalize deviations from idealized geometries. For example, the H 2 O molecule has four electron pairs in its valence shell: two lone pairs and two bond pairs. The four electron pairs are spread so as to point roughly towards the apices of a tetrahedron.
The 1b 1 MO is a lone pair, while the 3a 1, 1b 2 and 2a 1 MO's can be localized to give two O−H bonds and an in-plane lone pair. [30] This MO treatment of water does not have two equivalent rabbit ear lone pairs. [31] Hydrogen sulfide (H 2 S) too has a C 2v symmetry with 8 valence electrons but the bending angle is only 92°.
The oxygen atom also has two lone pairs of electrons. One effect usually ascribed to the lone pairs is that the H–O–H gas-phase bend angle is 104.48°, [58] which is smaller than the typical tetrahedral angle of 109.47°. The lone pairs are closer to the oxygen atom than the electrons sigma bonded to the hydrogens, so they require more ...
In the case of water, with its 104.5° HOH angle, the OH bonding orbitals are constructed from O(~sp 4.0) orbitals (~20% s, ~80% p), while the lone pairs consist of O(~sp 2.3) orbitals (~30% s, ~70% p). As discussed in the justification above, the lone pairs behave as very electropositive substituents and have excess s character.
A water molecule has two pairs of bonded electrons and two unshared lone pairs. Tetrahedral: Tetra-signifies four, and -hedral relates to a face of a solid, so "tetrahedral" literally means "having four faces". This shape is found when there are four bonds all on one central atom, with no extra unshared electron pairs.