Search results for "Ionization Energy"
showing 10 items of 83 documents
Rydberg and autoionizing states of tellurium studied by laser resonance ionization spectroscopy
2019
Multistep laser-resonance-ionization spectroscopy of tellurium (Te) has been performed at TRIUMF's off-line laser ion source test stand. Six clean and regular even-parity Rydberg series $5{p}^{3}$ $({^{4}S}_{3/2}^{\ensuremath{\circ}})$ $np\phantom{\rule{4pt}{0ex}}^{3}P_{0,1,2}$, $np\phantom{\rule{4pt}{0ex}}^{5}P_{1,2}$, and $nf\phantom{\rule{4pt}{0ex}}^{3}F_{2}/^{5}F_{1,2}$ were observed. The ionization potential of Te was extracted from the measured series as $72669.114{(56)}_{\mathrm{stat}}{(45)}_{\mathrm{sys}}\phantom{\rule{4pt}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$. Excited from two different intermediate levels, seven odd-parity autoionization Rydberg series converging to the $5{s}^{2}…
Determination of the first ionization potential of technetium
2010
Using resonance ionization spectroscopy the first-ionization potential of actinium has been determined by analyzing different Rydberg series in two-color resonant laser excitation. Three individual Rydberg series were investigated, converging toward the ionic ground state and toward the first- and second-excited state of the actinium ion, respectively. A combined analysis of the convergence limits leads to a consistent value for the first-ionization potential of Ac of $43\phantom{\rule{0.16em}{0ex}}394.45\phantom{\rule{0.16em}{0ex}}(19)\phantom{\rule{0.28em}{0ex}}{\text{cm}}^{\ensuremath{-}1}$, equivalent to $5.380\phantom{\rule{0.16em}{0ex}}226\phantom{\rule{0.16em}{0ex}}(24)$ eV.
Towards Laser Spectroscopy of Superheavy Elements
2016
The sensitivity of laser spectroscopic methods has been increased over the past two decades dramatically so that today the spectroscopy of superheavy elements appears on the horizon as a realistic option. For elements with Z > 100 no experimental atomic or ionic level structure information is known so far. These elements cannot be bread in high flux nuclear power reactors via successive neutron capture and \(\beta ^-\) decay but must be produced in accelerator-based nuclear fusion-evaporation reactions. Laser spectroscopic investigations at low rates take advantage of the storage of ions or atoms in rare gas traps. A first successful experiment was conducted only recently for the element no…
Ionization energy ofLi6,7determined by triple-resonance laser spectroscopy
2007
Rydberg level energies for $^{7}\mathrm{Li}$ were measured using triple-resonance laser excitation, followed by drifted field ionization. In addition to the principal $n\phantom{\rule{0.2em}{0ex}}^{2}P$ series, weak Stark mixing from residual electric fields allowed observation of $n\phantom{\rule{0.2em}{0ex}}^{2}S$ and hydrogenic Stark manifold series at higher $n$. Limit analyses for the series yield the spectroscopic ionization energy ${E}_{I}(^{7}\mathrm{Li})=43\phantom{\rule{0.2em}{0ex}}487.159\phantom{\rule{0.2em}{0ex}}40(18)\phantom{\rule{0.3em}{0ex}}{\mathrm{cm}}^{\ensuremath{-}1}$. The $^{6,7}\mathrm{Li}$ isotope shift (IS) was measured in selected $n\phantom{\rule{0.2em}{0ex}}^{2}…
Determination of the electron-detachment energies of 2'-deoxyguanosine 5'-monophosphate anion: influence of the conformation.
2009
The vertical electron-detachment energies (VDEs) of the singly charged 2'-deoxyguanosine 5'-monophosphate anion (dGMP - ) are determined by using the multiconfigurational second-order perturbation CASPT2 method at the MP2 ground-state equilibrium geometry of relevant conformers. The origin of the unique low-energy band in the gas phase photoelectron spectrum of dGMP - , with maximum at around 5.05 eV, is unambiguously assigned to electron detachment from the highest occupied molecular orbital of π-character belonging to guanine fragment of a syn conformation. The presence of a short H-bond linking the 2-amino and phosphate groups, the guanine moiety acting as proton donor, is precisely resp…
Effects of Crystal Field Splitting and Surface Faceting on the Electronic Shell Structure
1992
The shell structure of the valence electrons is clearly observed in all alkali and noble metal clusters containing up to hundreds of atoms[1 – 4]. It is seen in the abundances of the clusters, in the ionization potential and in the polarizability. The shell structure of the valence electrons is closely related to the shell model of nuclei, but is simpler owing to the negligibly small spin-orbit interaction. The ability to produce all sizes of metal clusters has made the metal clusters a test ground for the super-shell structure[5].
VEH electronic structure of Si60
1993
Abstract We present a valence effective Hamiltonian (VEH) theoretical investigation on the electronic structure of Si60. The VEH one-electron energy level distribution calculated for Si60 is used to predict the ionization potential (7.86 eV), electron affinity (6.62 eV) and HOMO-LUMO energy gap (1.24 eV) of Si60. We also report the first allowed electronic transitions of Si60. The results are compared with other theoretical levels and with those calculated for C60.
Full configuration interaction calculation of the low lying valence and Rydberg states of BeH
2007
The all-electron full configuration interaction (FCI) vertical excitation energies for some low lying valence and Rydberg excited states of BeH are presented in this article. A basis set of valence atomic natural orbitals has been augmented with a series of Rydberg orbitals that have been generated as centered onto the Be atom. The resulting basis set can be described as 4s2p1d/2s1p (Be/H) + 4s4p3d. It allows to calculate Rydberg states up to n= {3,4,5} of the s, p, and d series of Rydberg states. The FCI vertical ionization potential for the same basis set and geometry amounts to 8.298 eV. Other properties such as FCI electric dipole and quadrupole moments and FCI transition dipole and qua…
On the dissociation energy of Cu2 and CuH using a differential correlation approach
1990
The energy contributions involved in the “dissociation-consistent configuration interaction” (DCCI) scheme proposed by Goddard and co-workers plus the dispersion effects associated with the valence MOs adjacent to the bond (DISP) are evaluated for the Cu2 and CuH systems, following the “configuration interaction by perturbation with multiconfigurational zeroth-order wavefunction selected by iterative process” (CIPSI) algorithm. Using a relativistic pseudopotential to represent the neon core of copper, and a flexible basis set for the valence shell, the results obtained with the CIPSI/DCCI (+ DISP) approach shows a good agreement with previous theoretical results employing basis sets of simi…
Electronic Transitions in Tetrathiafulvalene and Its Radical Cation: A Theoretical Contribution
2001
The low-lying electronic states of tetrathiafulvalene (TTF) and its radical cation (TTF+) have been studied using the multistate extension of a multiconfigurational second-order perturbation method (MS−CASPT2). The minimum-energy equilibrium geometries optimized at the CASSCF level have a boatlike conformation for the neutral molecule, with no significant barrier toward planarity. A more aromatic planar structure is, however, found for the ionic system. For TTF, the calculations of the vertical excitation energies comprise valence singlet and triplet states as well as the lowest members of the Rydberg series converging to the first ionization limit. Valence doublet states have been consider…