Nuclear spin relaxation in molecular fluids near the critical point

The Watson version of the molecular vibration-rotation hamiltonian is expanded in terms of the scalar invariants of the inverse of the moment of inertia tensor using the generalized Lucas polynomials. The resultant expansion consists of the matrices Î, , ² with coefficients depending on the normal coordinates. This is in contrast to the usual expansion as a power series in the matrix .     

Natural embedding of group in NMR spin algebras

NMR aspects of finite group natural-embeddings in higher n-fold spin algebras over Hilbert space are considered in the context of icosahedral cage clusters associated with specific ¹¹B borohydride, -deuteride anions for which n = 12. The focus of the discussion is on the abstract and physical models derived from permutation modules in the form of λ ├ n partitions over , where . Hence, the related Kostka expansion coefficients from the pure abstract spin space of mapping and other -combinatorial aspects, including the nature of inner tensor products arising in the high-n limit, are especially pertinent. Further insight into spin cluster NMR problems is provided by studies of -induced algebras derived from the [λ_SA] self-associated irreps. Motivation for the work comes from its potential physical applications for higher-n bi-cluster NMR problems, e.g., in spin dynamics. The representational properties derived are essential in understanding the structure of Liouville space for both SU(2) and higher spin SU(m) clusters. The Hilbert space aspects presented here impact strongly on the somewhat neglected question of the nature of subduction, i.e., involving a finite group naturally embedded in a higher group, within an implicit dual Racah symmetry chain. The essential mappings presented here include both the λ module-onto-{[λ′]} set and the aspects, where the Kostka integers of the former arise naturally in the realization of λ module mappings over .     

The molecular g values,magnetic susceptibility anisotropies,and the molecular quadrupole moments in ethylene sulphide

The first and second-order Zeeman effect has been observed in the rotational transitions in ethylene sulphide to yield the molecular g values and magnetic susceptibility anisotropies. These data are

and

The a axis bisects the CSC angle and the b axis is also in the molecular plane. Only the relative signs of the molecular g values can be obtained experimentally. However, by comparing the molecular quadrupole moments calculated with both sets of g values, we can assign the signs as shown above.

The molecular quadrupole moments are

and

all in units of 10^-26 e.s.u. cm². These molecular quadrupole moments are compared to other similar molecules. The values of the diagonal elements in the paramagnetic susceptibility tensor are

and

all in units of 10^-6 erg/g ² mole. The anisotropies in the second moment of the electronic charge distributions are

and

all in units of 10^-16 cm².     

Comment on the determination of the intermolecular potential energy function of neon from spectroscopic,equilibrium and transport data

A quantum-mechanical treatment of the dynamics of relaxation of a twolevel mode coupled to a thermal bath is presented. The Zwanzig-Mori projection-operator formalism is employed to derive exact equations of motion for the correlation function and the excess population , where and are the coordinate and number operators associated with the two-level mode. In the van Hove weak-coupling limit it is shown that |G _ν|² and Δn decay exponentially with time constants τ and τ′, respectively. Explicit expressions for τ and τ′ are determined and the relationship between them clearly established. The application of the model to the specific problem of the effects of vibrational relaxation on isotropic Raman spectral lineshapes in dense media is emphasized.