The Jahn—Teller and spin—orbit coupling in the ground states of the CF3O and CF3S radicals have been investigated experimentally by dispersed fluorescence spectroscopy. These spectra are analysed using a theoretical model that simultaneously includes spin—orbit coupling and multimode Jahn—Teller coupling, both linear and quadratic. We find that in each of these radicals a moderate linear Jahn—Teller effect exists in ν6, with a much smaller coupling in ν5. These results are compared and contrasted with those for the related radicals CH3O and CH3S. The experimental data and theoretical analyses of these four radicals represent the most thorough investigations to date of the combined effects of spin—orbit and Jahn—Teller coupling. 相似文献
Eigenvector-following techniques are used to explore the classical effective potential energy surface of rotating clusters composed of identical rare gas atoms. Precise determination of transition states reveals the mechanisms for atomic rearrangements and allows us to calculate rate constants for the evaporation of an atom from the cluster surface using RRK theory. We examine the variation in the effective potential energy surface with the magnitude of the angular momentum, with particular reference to centrifugal distortion and the resulting spectroscopic constants, the Hessian index of the stationary points, and the centrifugal barriers to evaporation. Most of the calculations are performed using a pairwise additive Lennard-Jones potential, but comparisons are made with the accurate Aziz potential augmented by a three-body Axilrod-Teller term. 相似文献
We discuss residual finiteness and several related separability conditions for the class of monoid acts, namely weak subact separability, strong subact separability and complete separability. For each of these four separability conditions, we investigate which monoids have the property that all their (finitely generated) acts satisfy the condition. In particular, we prove that: all acts over a finite monoid are completely separable (and hence satisfy the other three separability conditions); all finitely generated acts over a finitely generated commutative monoid are residually finite and strongly subact separable (and hence weakly subact separable); all acts over a commutative idempotent monoid are residually finite and strongly subact separable; and all acts over a Clifford monoid are strongly subact separable.