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The polar sensitivity factor ρ* can be obtained by plotting the ratio of the measured reaction rates (k s) compared to the reference reaction versus the σ* values for the substituents. This plot will give a straight line with a slope equal to ρ*. Similar to the Hammett ρ value:
This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well ...
In supramolecular chemistry, [1] host–guest chemistry describes complexes that are composed of two or more molecules or ions that are held together in unique structural relationships by forces other than those of full covalent bonds. Host–guest chemistry encompasses the idea of molecular recognition and interactions through non-covalent ...
A generic More O’Ferrall–Jencks plot. R, I(1), I(2) and P stand for reactant(s), intermediate(s) 1, intermediate(s) 2 and product(s) respectively. The thick arrows represent movement of the transition state (black dot) parallel and perpendicular to the diagonal (red line). The thin arrow is the vector sum of the thick arrows.
In some important cases (topological index calculation etc.) the following classical definition is sufficient: a molecular graph is a connected, undirected graph which admits a one-to-one correspondence with the structural formula of a chemical compound in which the vertices of the graph correspond to atoms of the molecule and edges of the ...
A Piper diagram is a graphical representation of the chemistry of a water sample or samples. The cations and anions are shown by separate ternary plots. The apexes of the cation plot are calcium, magnesium and sodium plus potassium cations. The apexes of the anion plot are sulfate, chloride and carbonate plus hydrogen carbonate anions.
This equation implies that if one makes a log–log plot of adsorption data, the data will fit a straight line. The Freundlich isotherm has two parameters, while Langmuir's equations has only one: as a result, it often fits the data on rough surfaces better than the Langmuir isotherm.
In theoretical chemistry, an energy profile is a theoretical representation of a chemical reaction or process as a single energetic pathway as the reactants are transformed into products. This pathway runs along the reaction coordinate , which is a parametric curve that follows the pathway of the reaction and indicates its progress; thus ...