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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 ...
Even for small molecules like carbohydrates, the recognition process can not be predicted or designed even assuming that each individual hydrogen bond's strength is exactly known. [26] However, as Mobley et al. [ 27 ] concluded, the accurate prediction of the molecular recognition events needs to go beyond the static snapshot of a single frame ...
Molecular self-assembly is a key concept in supramolecular chemistry. [6] [7] [8] This is because assembly of molecules in such systems is directed through non-covalent interactions (e.g., hydrogen bonding, metal coordination, hydrophobic forces, van der Waals forces, pi-stacking interactions, and/or electrostatic) as well as electromagnetic interactions.
A Van der Waals molecule is a weakly bound complex of atoms or molecules held together by intermolecular attractions such as Van der Waals forces or by hydrogen bonds. [1] The name originated in the beginning of the 1970s when stable molecular clusters were regularly observed in molecular beam microwave spectroscopy .
The effect originates from the disruption of highly dynamic hydrogen bonds between molecules of liquid water. Polar chemical groups, such as OH group in methanol do not cause the hydrophobic effect. However, a pure hydrocarbon molecule, for example hexane, cannot accept or donate hydrogen bonds to water. Introduction of hexane into water causes ...
Isovalent hybridization is used to explain bond angles of those molecules that is inconsistent with the generalized simple sp, sp 2 and sp 3 hybridization. For molecules containing lone pairs, the true hybridization of these molecules depends on the amount of s and p characters of the central atom which is related to its electronegativity.
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).
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.