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Showing 1 to 13 of 13 for “"Vibrational structure"”.
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ΦΑΣΜΑΤΟΣΚΟΠΙΑ ΔΙΕΓΕΡΜΕΝΩΝ ΗΛΕΚΤΡΟΝΙΑΚΩΝ ΚΑΤΑΣΤΑΣΕΩΝ ΤΩΝ ΠΙΚΟΛΙΝΩΝ
… TRANSITIONS. WE MADE ALSO AN ANALYSIS OF THEIR VIBRATIONAL STRUCTURE AND WE COMPARED THEM WITH THE SPECTRA OF BENZENE, TOLUENE AND PYRIDINE. FROM THE LINE INTENSITY VARIATION OF THE RAMAN SPECTRA (WHICH WERE TAKEN IN THE LIQUID PHASE) WITH THE WAVELENGTH OF THE INCIDENT LASER LIGHT WE FOUND OUT …
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An analysis of the photoelectron and Rydberg states of formaldehyde /|nby Carol R. Lessard. -- 260 St. Catharines [Ont.] : Dept. of Chemistry, Brock University,
… spectrum of the 2B2 (n) ion has very little vibrational structure attached to the origin band; on the other hand, several of the Rydberg transitions which involve the promotion of the n(bZ) electron exhibit a great deal of vibrational activity. In particular, the members of the n=3 Rydberg\ …
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Testing the vibrational nature of 100Ru
… with previously assumed low-lying spherical vibrational structure showed that very few passed the criteria. Of the few remaining candidates there is insufficient spectroscopic information to draw conclusions. As part of a larger strategy to address this issue, the structure of 100Ru was …
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Diagrammatic many-body methods for anharmonic molecular vibrational properties
… Dyson equation formalism for the single-particle vibrational Green's function and the many-body perturbation theory for the total zero-point energy. Unlike similar methods based on the vibrational self-consistent field (VSCF) approximation, these XVSCF and XVMP2 methods are guaranteed to be …
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Optical studies of DNA-wrapped carbon nanotubes
… effects of DNA wrapping on the electronic and vibrational structure of SWNTs. Then, by using a DNA-wrapped SWNT sample that is highly enriched in (6, 5) SWNTs, I was able to separately identify the individual phonon-assisted relaxation channels that could not be clearly observed in bulk …
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Electronic spectroscopy of flavins in a cryogenic 22 - pole ion trap
… provides accurate trends of the geometric, vibrational, and electronic properties. Precisely, all measured spectra are assigned to S1-S0 (pi pi*) transitions. The experimentally extracted S1 origin transitions are either blue- or red-shifted to those obtained for neutral flavins, which is …
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Structure, electronic levels, and ionic interactions of 1 nanometer silicon particles
… to rst principles quan- tum calculations of the structure, electronic levels, and ionic interactions. The vibrational modes of several candidate structures of the 1 nm particles are calculated at the Hartree-Fock level, and compared to previously acquired Raman spectra to determine the structure. …
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Synchrotron radiation as a probe of chemical information using novel experimental configurations
… years. Previously, this was accomplished on the vibrational structure of molecules with a limited ability to determine the rotational substructure effects. A dramatic increase in the ability to determine shape resonant effects is shown as a direct result of the reduction in gas temperature. …
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Bioanalytical applications of fluorescence line-narrowing and non-line-narrowing spectroscopy interfaced with capillary electrophoresis and high-performance liquid chromatography
… FLN spectra, whose rich and sharp (≈5 cm-1) vibrational structure serves as fingerprints. Fluorescence line-narrowing is operative at temperatures close to 4 K. Thus, a major challenge was the design of compact cryostats that are compatible with the above separation techniques and allow for …
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Diagrammatic theories for the vibrational many-body problem
Anharmonic vibrational many-body methods are developed for and applied to small molecules and extended systems in a bound potential energy surface (PES). Diagrammatically size-consistent and basis-set-free vibrational coupled-cluster (XVCC) theory for both zero-point energies and transition …
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Coulomb Explosion and Intense-Field Photodissociation of Ion-Beam H2+ and D2+
… explosion (<10^14 W/cm^2), we observed a peak structure in the Coulomb explosion kinetic energy spectra in both H2+ and D2+. We show that the observed peaks can be attributed to the different dissociation energies of vibrationally excited molecules. Furthermore, this preservation of the …
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Vibrational and anion photoelectron spectroscopy of transition metal clusters
… characterization of the geometric and electronic structures of isolated transition metal clusters in the gas phase and, consequently, a better understanding of their bonding nature. The first part of the thesis encompasses experimental results and conclusions for the anionic platinum trimer (Pt3-) …
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Luminescence Spectroscopy of Strontium and Barium atoms isolated in Low Temperature Solids – an experimental and theoretical study
… this behaviour is consistent with the absence of vibrational structure on the near-IR absorption band of Ba2, indicating that a lifetime broadening effect exists on this molecular transition. Moreover, the excitation/emission features identified in the visible spectral region (580 – 680 nm) for …