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In a discrete water molecule, there are two hydrogen atoms and one oxygen atom. The simplest case is a pair of water molecules with one hydrogen bond between them, which is called the water dimer and is often used as a model system. When more molecules are present, as is the case with liquid water, more bonds are possible because the oxygen of ...
Double and triple bonds are usually represented by two or three curved rods, respectively, or alternately by correctly positioned sticks for the sigma and pi bonds. In a good model, the angles between the rods should be the same as the angles between the bonds , and the distances between the centers of the spheres should be proportional to the ...
The theory is also applied to so-called hydrogen–hydrogen bond s [5] as they occur in molecules such as phenanthrene and chrysene. In these compounds, the distance between two ortho hydrogen atoms again is shorter than their van der Waals radii, and according to in silico experiments based on this theory, a bond path is identified between them.
The smallest molecule, hydrogen gas exists as dihydrogen (H-H) with a single covalent bond between two hydrogen atoms. As each hydrogen atom has a single 1s atomic orbital for its electron, the bond forms by overlap of these two atomic orbitals. In the figure the two atomic orbitals are depicted on the left and on the right.
The figure shows methane (CH 4), in which each hydrogen forms a covalent bond with the carbon. See sigma bonds and pi bonds for LCAO descriptions of such bonding. [22] Molecules that are formed primarily from non-polar covalent bonds are often immiscible in water or other polar solvents, but much more soluble in non-polar solvents such as hexane.
A covalent bond forming H 2 (right) where two hydrogen atoms share the two electrons. A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs.
This also allows double and triple bonds to be approximated by multiple single bonds. A modern plastic ball and stick model. The molecule shown is proline. The model shown to the left represents a ball-and-stick model of proline. The balls have colours: black represents carbon (C); red, oxygen (O); blue, nitrogen (N); and white, hydrogen (H).
The first theoretical study of the water dimer was an ab initio calculation published in 1968 by Morokuma and Pedersen. [10] Since then, the water dimer has been the focus of sustained interest by theoretical chemists concerned with hydrogen bonding—a search of the CAS database up to 2006 returns over 1100 related references (73 of them in 2005).
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