Search results
Results from the WOW.Com Content Network
Acetylferrocene is the organoiron compound with the formula (C 5 H 5)Fe(C 5 H 4 COCH 3). It consists of ferrocene substituted by an acetyl group on one of the cyclopentadienyl rings. It is an orange, air-stable solid that is soluble in organic solvents.
The polarizable continuum model (PCM) is a commonly used method in computational chemistry to model solvation effects. If it is necessary to consider each solvent molecule as a separate molecule, the computational cost of modeling a solvent-mediated chemical reaction would grow prohibitively high.
Ferrocene is an organometallic compound with the formula Fe(C 5 H 5) 2.The molecule is a complex consisting of two cyclopentadienyl rings sandwiching a central iron atom. It is an orange solid with a camphor-like odor that sublimes above room temperature, and is soluble in most organic solvents.
When both steric and polar effects influence the reaction rate the Taft equation can be solved for both ρ* and δ through the use of standard least squares methods for determining a bivariant regression plane. Taft outlined the application of this method to solving the Taft equation in a 1957 paper.
The matrix above can be used with the molar refractivity equation and other data to produce density data for crystallography. Each polarizability measurement along with the refractive index associated with its direction will yield a direction specific density that can be used to develop an accurate three dimensional assessment of molecular ...
In electrochemistry, the Randles–Ševčík equation describes the effect of scan rate on the peak current (i p) for a cyclic voltammetry experiment. For simple redox events where the reaction is electrochemically reversible, and the products and reactants are both soluble, such as the ferrocene/ferrocenium couple, i p depends not only on the concentration and diffusional properties of the ...
The non-random two-liquid model [1] (abbreviated NRTL model) is an activity coefficient model introduced by Renon and Prausnitz in 1968 that correlates the activity coefficients of a compound with its mole fractions in the liquid phase concerned. It is frequently applied in the field of chemical engineering to calculate phase equilibria.
Flory–Huggins solution theory is a lattice model of the thermodynamics of polymer solutions which takes account of the great dissimilarity in molecular sizes in adapting the usual expression for the entropy of mixing. The result is an equation for the Gibbs free energy change for mixing a polymer with a solvent. Although it makes simplifying ...