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The bond angle for water is 104.5°. Valence shell electron pair repulsion (VSEPR) theory (/ ˈvɛspər, vəˈsɛpər / VESP-ər, [ 1 ]: 410və-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 ] It is also named the Gillespie-Nyholm ...
Steric effects arise from the spatial arrangement of atoms. When atoms come close together there is generally a rise in the energy of the molecule. Steric effects are nonbonding interactions that influence the shape (conformation) and reactivity of ions and molecules. Steric effects complement electronic effects, which dictate the shape and ...
The Taft equation is a linear free energy relationship (LFER) used in physical organic chemistry in the study of reaction mechanisms and in the development of quantitative structure–activity relationships for organic compounds. It was developed by Robert W. Taft in 1952 [2][3][4] as a modification to the Hammett equation. [5]
Sulfur dioxide is the product of the burning of sulfur or of burning materials that contain sulfur: S8 + 8 O2 → 8 SO2, ΔH = −297 kJ/mol. To aid combustion, liquified sulfur (140–150 °C (284–302 °F) is sprayed through an atomizing nozzle to generate fine drops of sulfur with a large surface area.
A sterimol parameter is a set of vectors which describes the steric occupancy of a molecule. First developed by Verloop in the 1970s. [1] Sterimol parameters found extensive application in quantitative structure-activity relationship (QSAR) studies for drug discovery. [2][3] Introduction of Sterimol parameters into organic synthesis was ...
As an example, biological activity can be expressed quantitatively as the concentration of a substance required to give a certain biological response. Additionally, when physicochemical properties or structures are expressed by numbers, one can find a mathematical relationship, or quantitative structure-activity relationship, between the two.
The elements that become oxidized are shown in pink, those that become reduced in blue, and the electrons in purple. Microbial oxidation of sulfur is the oxidation of sulfur by microorganisms to build their structural components. The oxidation of inorganic compounds is the strategy primarily used by chemolithotrophic microorganisms to obtain ...
Example Bjerrum plot: Change in carbonate system of seawater from ocean acidification.. A Bjerrum plot (named after Niels Bjerrum), sometimes also known as a Sillén diagram (after Lars Gunnar Sillén), or a Hägg diagram (after Gunnar Hägg) [1] is a graph of the concentrations of the different species of a polyprotic acid in a solution, as a function of pH, [2] when the solution is at ...