Resonance angular distribution

HAYES AND WALKER Reactive Resonances Angular Distributions... 

At the time the experiments were perfomied (1984), this discrepancy between theory and experiment was attributed to quantum mechanical resonances drat led to enhanced reaction probability in the FlF(u = 3) chaimel for high impact parameter collisions. Flowever, since 1984, several new potential energy surfaces using a combination of ab initio calculations and empirical corrections were developed in which the bend potential near the barrier was found to be very flat or even non-collinear [49, M], in contrast to the Muckennan V surface. In 1988, Sato [ ] showed that classical trajectory calculations on a surface with a bent transition-state geometry produced angular distributions in which the FIF(u = 3) product was peaked at 0 = 0°, while the FIF(u = 2) product was predominantly scattered into the backward hemisphere (0 > 90°), thereby qualitatively reproducing the most important features in figure A3.7.5. 

As presaged by Lee and co-workers,57 it is in the angular distributions that the clearest sign of resonance behavior is observed. In Fig. 13, we plot the calculated DCS versus Ec and 9 for F + Fp (p) — HF (v = 2) + H summed over j -states. Near the resonance energy, we observe a very dramatic change in the angular product distribution. At Ec = 0.34kcal/mol... 

Electron spin resonance (esr), 22 132 for lignin characterization, 15 10 Electron-stimulated desorption-ion angular distribution (ESDIAD), 24 74 Electron transfer (ET), 9 376-381, 388 mechanisms of, 13 444 rate constant for, 13 447 Electron-transfer dynamics, in... 

PAD (perturbed angular distribution) is a variation of PAC with nuclear excitation by a particle beam from an accelerator. QMS is quasielastic MdBbauer-spectroscopy, QNS is quasielastic neutron spectroscopy. For MOBbauer spectroscopy (MS), perturbed angular correlation (PAC), and /J-nuclear magnetic resonance (/3-NMR), the accessible SE jump frequencies are determined by the life time (rN) of the nuclear states involved in the spectroscopic process. Since NMR is a resonance method, the resonance frequency of the experiment sets the time window. With neutron scattering, the time window is determined by the possible energy resolution of the spectrometer as explained later. 

Several reasons have been put forward to explain the change in the angular intensity pattern of the photoelectrons. One explanation is that intermediate neutral energy levels are ac-Stark shifted into resonance and contribute new selection rules to the photoionization process [53,54], Another possibility is that the electrons of the Kr or D2 are driven into the core Kr+ or D2 in a scattering-like process that creates interference fringes in the photoelectron angular distribution due to interference between multiple scattering channels [55],... 

The photolysis of aromatic species with tetranitromethane in perfluoro alcohol solvent has been studied, in which the radical cations were observed by EPR spectroscopy.284 Photo-stimulated reaction of 1- and 2-haloadamantanes and 1,2- and 1,3-dihaloadamantanes with various carbanionic nucleophiles afforded products rationalized through an SrnI mechanism.285 286 Photolysis of the cycloadduct formed between a functionalized derivative of C6o and diazomethane has been shown to afford a pah of ling-opened structures (125) and (126) via a proposed biradical intermediate (127) (Scheme 19). The UV-photolytic fragments of /-butyl iodide (T and /-Bu ) have been ionized by resonance-enhanced multiphoton ionization for TOF mass spectro-metric analysis.287 A two-dimensional position-sensitive detector provided angular distribution and translational energy data. 

D. Sokolovski, S.K. Sen, V. Aquilanti, S. Cavalli, D. De Fazio, Interacting resonances in the F+H2 reaction revisited Complex terms, Riemann surfaces, and angular distributions, J. Chem. Phys. 126 (2007) 084305. 

R. Moccia, P. Spizzo, Helium photoionization between the N = 2 and N = 3 thresholds including angular distribution and resonance properties A k-matrix L2 basis-set calculation, Phys. Rev. A 43 (1991) 2199. 

Both models demonstrate sizable oscillations, i.e., confinement resonances, in the energy dependence of photoelectron angular distribution parameters. The resonances fade away rapidly with an increasing energy of the photoelectrons. The decrease in the resonance amplitudes with increasing... 

The discovery of confinement resonances in the photoelectron angular distribution parameters from encaged atoms may shed light [36] on the origin of anomalously high values of the nondipole asymmetry parameters observed in diatomic molecules [62]. Following [36], consider photoionization of an inner subshell of the atom A in a diatomic molecule AB in the gas phase, i.e., with random orientation of the molecular axis relative to the polarization vector of the radiation. The atom B remains neutral in this process and is arbitrarily located on the sphere with its center at the nucleus of the atom A with radius equal to the interatomic distance in this molecule. To the lowest order, the effect of the atom B on the photoionization parameters can be approximated by the introduction of a spherically symmetric potential that represents the atom B smeared over... 

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