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2 → C 6 H 4 Cl 2 + HCl. The reaction also affords the 1,4- and small amounts of the 1,3-isomer. The 1,4- isomer is preferred over the 1,2- isomer due to steric hindrance. The 1,3- isomer is uncommon because it is a meta- compound, while chlorine, like all halogens, is an ortho/para-director in terms of electrophilic aromatic substitution.
In section 5.5.5 of his book, Allen [4] compares the reaction field with other methods, focusing on the simulation of the Stockmayer system (the simplest model for a dipolar fluid, such as water). The work of Adams, et al. (1979) showed that the reaction field produces results with thermodynamic quantities (volume, pressure and temperature ...
1,2-Dichlorobenzene or ortho-dichlorobenzene; 1,3-Dichlorobenzene or meta-dichlorobenzene; 1,4-Dichlorobenzene or para-dichlorobenzene. All three isomers are colorless chlorobenzenes with the formula C 6 H 4 Cl 2. They differ structurally based on where the two chlorine atoms are attached to the ring.
Molecular symmetry in physics and chemistry describes the symmetry present in molecules and the classification of molecules according to their symmetry. Molecular symmetry is a fundamental concept in the application of Quantum Mechanics in physics and chemistry, for example it can be used to predict or explain many of a molecule's properties, such as its dipole moment and its allowed ...
The polarizability of an atom or molecule is defined as the ratio of its induced dipole moment to the local electric field; in a crystalline solid, one considers the dipole moment per unit cell. [1] Note that the local electric field seen by a molecule is generally different from the macroscopic electric field that would be measured externally.
where μ is the electric dipole moment of the effectively polarized water molecule (2.35 D for the SPC/E model), μ 0 is the dipole moment of an isolated water molecule (1.85 D from experiment), and α i is an isotropic polarizability constant, with a value of 1.608 × 10 −40 F·m 2. Since the charges in the model are constant, this ...
The electric dipole moment is a measure of the separation of positive and negative electrical charges within a system: that is, a measure of the system's overall polarity. ...
Typical dipole moments for simple diatomic molecules are in the range of 0 to 11 D. Molecules with symmetry point groups or containing inversion symmetry will not have a permanent dipole moment, while highly ionic molecular species have a very large dipole moment, e.g. gas-phase potassium bromide, KBr, with a dipole moment of 10.41 D. [3] A proton and an electron 1 Å apart have a dipole ...