CAS 452-66-4: 4-Chloro-1-fluoro-2-methylbenzene

5-Chloro-2-fluorotoluene

4-chloro-1-fluoro-2-methylbenzene is a molecule that belongs to the group of monochromators. It is used to measure molecular electrostatic potentials and vibrational frequencies, as well as to study reaction mechanisms. The functional theory assumes that the molecule has no permanent dipole moment and that it is an uncharged system. The polarizability of the molecule can be computed using a computational method called density functional theory or DFT. In this case, the Hamiltonian operator is written in terms of atomic orbitals. This computation provides information about the energy levels and wavefunctions of the electrons in a molecule. A computer program can then be used to calculate the corresponding wavelengths for each transition between two energy levels.