4II state

In the case of MoO no experimental or other theoretical data are available by now. The ground state of MoO+ comes from the dT ionization, the second one is the as ionization effect, both render well-defined 4E" and 4II states. The interpretation of ionizations in the /3 manifold is even more complicated than for the VO molecule. The lowest energy sextet state is again the 6II "shake-up" state coming from /3-zr ionization combined with the a os - d transition. Unfortunately, the direct /8-ir hole state gives rise to three energy terms and must be taken with caution. The fi-o ionization would lead to the well-defined 6I1 state, it is, however, the second state of this symmetry lying very close to the "shake-up state and thus inaccessible by the present calculations. 

In general it is easiest to derive a relationship between the many-electron Aa parameter and the one-electron oa parameter from the diagonal matrix elements of the A, 5, E = S) basis function/ Consider, for example, the 4II state belonging to a San configuration (e.g., the VO molecule Cheung et al., 1982). For three open subshells (see Table 3.4) ... 

For SH, with a calculated spin-orbit interaction of 162 cm-1 between the A2E+ and 4II states (Wheeler, et al, 1997), the ratio between the interaction strengths for SH and OH is in good agreement with the ratio of the atomic spin-orbit constants of sulfur and oxygen, namely about 2.5. 

These heteropentalenes are also toxic to bacteria cells Escherichia coli. Penetrating into the cells they are reduced by an enzyme system and then convert O2 to toxic O2 and H2O2 returning themselves to the initial state <89Mi 4ii-0l>. Activity as an oxygen promotor with catalase and superoxidase was found for (5 X = S) in concentrations down to 0.005 mM <89JAP8966120>. 

Theoretical studies of PO have been carried out recently by Mulliken and Liu,283 who obtained a wavefunction close to the Hartree-Fock limit. An investigation of the Rydberg states has also been reported.335 The first calculations using Cl were those of Tseng and Grein,386 who have studied a variety of PE curves for the low-lying 2II, 4II, 2E+, 2S, 4S-, 2A, and 2fl> states. A minimal STO basis and full valence-shell Cl were used. The relative positions of the states agree well with experiment, and several predictions were made for as yet unobserved states. 

Three-fold up-conversion of 637 nm light results in excitation of the 2P3/2 level via (4Iis/2 - 4F9/2) + (4113/2 -> 4F5/2) + (4S3/2 -> 4multiphonon relaxations. Efficient blue (470 nm) and violet (402 nm) emissions occur from that level together with weak UV emission at 320 nm down to the 4115/2 ground state [108],... 

Figure 7.2 Schematic description of the dissociation channels Br+(3Pj) + H(2S) for the molecular states X2IIj (configuration a2it3 at Re), 4S and 2E (

Electron energy-loss spectroscopy at low excitation energies is a surface sensitive technique to study the electronic structure by exciting collective oscillations or electrons from occupied into unoccupied states. In metals with a high density of states arising from d electrons, the excitation of plasmon losses has a relatively low probability. Therefore, the spectra are dominated by interband or intraband transitions. In rare earth metals, excitations of the partially filled/shell are observed that are assigned to be dipole-forbidden 4/4/transitions. These transitions are enhanced near the 4ii-4/threshold [56]. 

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