Multiplet table

C.E. Moore, A Multiplet Table of Astrophysical Interest, Revised Edition (RMT), NSRDS-NBS 40, Nat. Bur. Stand., Washington, 1972. 

The spin-orbit coupling in the atomic system manifests itself in a further splitting of atomic terms into multiplets (Table 8.5). 

Moore, C. E., Revised Multiplet Table, Princeton University Observatory No. 20,1945. 

In principle, all possible excitations contribute to the photoelectron spectrum and the proper quantum mechanical amplitude must be calculated. For the lanthanides, the atomic limit corresponds to the assumption that the photoelectron spectrum is dominated by those processes, where the photon hits a particular ion and causes an excitation on that ion without disturbing the remainder of the crystal. In the standard model, the lanthanide ion would initially be in its bivalent / configuration with the Hund s rule ground state multiplet (Table 1 in Section 2.2), and would be transferred into some multiplet within configuration... 

The NMR speetra of the parent heteroeyeles cf. Table 7) eaeh eonsist of two multiplets,... 

Table 47.3. Relative configurations of the protons between Sh = 7.23 and 3.42 from the HH coupling constants of the expanded proton multiplets. Chemical shift values (Sh) of the proton multiplets are given as large numerals in boldface and coupling constants (Hz) are as small numerals...

Table 51.3. Interpretation of the CH COLOC diagram (methyl connectivities) using the CH multiplets derived...

The most commonly observed coupling patterns and the relative intensities of lines in their multiplets are listed in Table 13.4. Note that it s not possible for a given proton to have five equivalent neighboring protons. (Why not ) A six-line multiplet, or sextet, is therefore found only when a proton has five non-equivalent neighboring protons that coincidentally happen to be coupled with an identical coupling constant /. 

For a rigidly held, three-spin system, or when existing internal motion is very slow compared to the overall molecular tumbling, all relaxation methods appear to be adequate for structure determination, provided that the following assumptions are valid (a) relaxation occurs mainly through intramolecular, dipolar interactions between protons (b) the motion is isotropic and (c) differences in the relaxation rates between lines of a multiplet are negligibly small, that is, spins are weakly coupled. This simple case is demonstrated in Table V, which gives the calculated interproton distances for the bicycloheptanol derivative (52) of which H-1, -2, and -3 represent a typical example of a weakly coupled, isolated three-spin... 

C) The spacing between the first and second lines will be the smallest coupling constant, a. The intensity ratio of these two lines will usually indicate the multiplet to which the coupling constant corresponds. Assign quantum numbers to the second line, compute a, and enter these numbers in the table. If you have started into a multiplet, you can then predict the positions and intensities of the remaining lines of the multiplet. Find them and enter the quantum numbers and new estimates of a in the table. 

Table 6.1 Energies of the low-lying J-multiplets predicted within the CASSCF/RASSI approach for the free Ln3+ ions. ANO-RCC of single-zeta quality were employed. The active space of the CASSCF method included only n electrons spanning the 4f shell. 

Table 6.2 Energies of the lowest spin-free states originating from the SH multiplet and the energies of the low-lying Kramers doublets of the DyZn3 complex.

With the structure determined, a detailed analysis of the 400-MHz H-NMR spectrum was performed in comparison with other ervafolines (Table XI) (214). Characteristic were the singlet at 3.86 ppm for H-3 and the multiplet at 5.64 ppm for aromatic H-12. The unusual shift of the latter proton is due to the anisotropic effect of the neighboring aromatic ring in the lower part (part B) of the dimer. 

Carbon-13 NMR spectra. A carbon-13 NMR spectrum of HTE polymer (Rn S 500) is shown in Figure 3. The carbon-13 NMR spectra of HTE polymers show the carbon chemical shifts at 79.3 and 72.7 ppm for the backbone and the terminal methine carbons respectively, at 43.9 and 46.2 ppm for the backbone and the terminal chloromethyl carbons, respectively, and in the range of 69.7-72.0 ppm as a multiplet for the methylene carbon. It is a characteristic feature of hydroxyl-terminated polyethers that the terminal carbon exhibits a up-field shift due to the substituent effect of the hydroxyl group, whereas the (0 carbon(s) to the terminal hydroxyl group exhibits a down-field shift (Table III). The terminal methine carbon also suggests that the hydroxyl groups are predominantly secondary. 

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