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Nuclear rotation couplings

Values were also reported for the rotational constants, centrifugal distortion constants, and the chlorine nuclear quadrupole coupling constants of the three isotopic species F C1 02, F CF 02, and i F CF 0 0. The molecular dipole moment was found to be 1.722 0.03 D. [Pg.350]

Yi and Ys - gyromagnetic ratio of spin 1 and spin S nuclear spin, rJS = intemuclear distance, tr= rotational correlation time, x< = reorientation correlation time, xj = angular momentum correlation time, Cs = concentration of spin S, Cq = e2qzzQ/h = quadrupole coupling constant, qzz = the electric field gradient, Q = nuclear electric quadrupole moment in 10 24 cm2, Ceff = effective spin-rotational coupling constant, a = closest distance of appropriate of spin 1 and spin S, D = (DA+DB)/2 = mutual translational self diffusion coefficient of the molecules containing I and S, Ij = moment of inertia of the molecule, Ao = a// - ol-... [Pg.138]

Nuclear hyperfine splittings in the rotational spectra of dimers have been observed in the molecular beam electric resonance experiments and the Fourier transform microwave experiments. In most cases, the coupling constants are interpreted with the simplified expression given in Eqn. (6) for axially symmetric molecules in the K=0 rotational manifold. Thus both the nuclear quadrupole coupling term and the... [Pg.100]

Cs quadrupole coupling 19F nuclear spin-rotation coupling... [Pg.17]

Questions arise immediately concerning the coupling of L, S and the nuclear rotation, R The possible coupling cases, first outlined by Hund, are discussed in detail in chapter 6. Here we will adopt case (a), which is the one most commonly encountered in practice. The most important characteristic of case (a) is that A, the component of L along the intemuclear axis, is indeed defined and we can use the labels , Id, A, etc., as described above. The spin-orbit coupling can be represented in a simplified form by the Hamiltonian term... [Pg.26]

In Hund s case (d) the coupling between L and the nuclear rotation R is much stronger than that between L and the intemuclear axis. As shown in figure 6.16, the result of the coupling between L and R is N, which can be further coupled with S in suitable open... [Pg.228]

Figure 8.31. Nuclear hyperfine splitting of the J = 1 rotational level of CsF in its X 1 + state. The major splitting is due to the 133Cs quadrupole interaction, and the smaller doublet splitting arises from the 19F nuclear spin-rotation coupling. The diagram is drawn for zero apphed electric field, and the strongest electric dipole transitions are indicated. Figure 8.31. Nuclear hyperfine splitting of the J = 1 rotational level of CsF in its X 1 + state. The major splitting is due to the 133Cs quadrupole interaction, and the smaller doublet splitting arises from the 19F nuclear spin-rotation coupling. The diagram is drawn for zero apphed electric field, and the strongest electric dipole transitions are indicated.
The CN radical in its 21 ground state shows fine and hyperfine structure of the rotational levels which is more conventional than that of CO+, in that the largest interaction is the electron spin rotation coupling../ is once more a good quantum number, and the effective Hamiltonian is that given in equation (10.45), with the addition of the nuclear electric quadrupole term given in chapter 9. The matrix elements in the conventional hyperfine-coupled case (b) basis set were derived in detail in chapter 9,... [Pg.750]

We have chosen to use the hyperfine-coupled representation, where for 12CH, F is equal to J 1 /2. An appropriate basis set is therefore t], A N, A S, J, /, F), with MF also important when discussing Zeeman effects. As usual the effective zero-field Hamiltonian will be, at the least, a sum of terms representing the spin-orbit coupling, rigid body rotation, electron spin-rotation coupling and nuclear hyperfine interactions, i.e. [Pg.799]

In 2008, Alonso and coworkers reported a combined experimental and computational study of the conformations of cysteine. They located 11 low lying conformers at MP4/6-311-i i-G(d,p)//MP2/6-311-l-l-G(d,p), and the five lowest energy structures are shown in Table 3.15. Using laser ablation molecular beam Fourier transform microwave spectroscopy, they identified six conformers present in the gas phase. Comparing the computed rotational constants and nuclear quadrupole coupling tensor components with the experiment, they were able to decidedly match up all six experimental conformers with computed structures. Of the five low energy conformers listed in Table 3.15, four of them were identified in the experiment. [Pg.123]


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