Rotation of diatomics

This Schrodinger equation relates to the rotation of diatomic and linear polyatomic molecules. It also arises when treating the angular motions of electrons in any spherically symmetric potential... 

Hence, the problem is reduced to whether g(co) has its maximum on the wings or not. Any model able to demonstrate that such a maximum exists for some reason can explain the Poley absorption as well. An example was given recently [77] in the frame of a modified impact theory, which considers instantaneous collisions as a non-Poissonian random process [76]. Under definite conditions discussed at the end of Chapter 1 the negative loop in Kj(t) behaviour at long times is obtained, which is reflected by a maximum in its spectrum. Insofar as this maximum appears in g(co), it is exhibited in IR and FIR spectra as well. Other reasons for their appearance are not excluded. Complex formation, changing hindered rotation of diatomic species to libration, is one of the most reasonable. 

Restricted rotation of diatomic or polyatomic molecules about one coordinate axis 1... 

Apply the spherical model to the rotation of diatomic molecules and to electron and nuclear spin... 

A solid matrix supplies an external field in which the potential energy U(r, 6, ) of the diatomic molecule depends on both the position r of its center of mass and its spatial orientation giwn by two angles 0 and < >. The translational and rotational degrees-of-fieedom may be coupled by means of the external field and it has to be determined to which extent tlte organic polymer matrices are capable of influencing the rotation of diatomic molecides. R ults of a Molecular Dynamics study of O2 dynamics in poly(isobutylene) (PIB) at 300 K indicate [59] that the rotation of the O2 molecules is weU separated from tlteir translational motion and the rotational correlation time x, i%0.1 ps derived from the Molecular Dynamics trajo tories [59] agrees well with the value of 0.15 ps deduced above one can conclude diat the PIB matrix d )es not affect the... 

To no surprise, substitution of Equation 8-3 into Equation 8-1 along with operation of on Y/ (6, ( )) and subsequent cancellation of Y (6, ( )) results in the same two-body radial Schroedinger equation as previously obtained for the vibration/rotation of diatomic molecules with a general expression for the potential V(r) (see Equation 6-10). 

In the case of the vibration/rotation of a diatomic molecule, the /(/ -t 1) term in the radial Schroedinger equation is approximated via a power series expansion (see Equation 6-18). This approximation is sufficient for vibration/rotation of diatomic molecules because the distance of separation of the two nuclei does not vary greatly between rotational states. In the case of electronic states however, the separation of the electron and the nucleus varies widely between states and a power series expansion is inappropriate. Eortunately, the solution to Equation 8-6 is well known. There are an infinite number of solutions for each value of / and each one is designated by a quantum number n. Each state is called an atomic orbital (AO). The quantum numbers that distinguish the possible states is given as follows. 

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