Search results for "Ionization Energy"

First Determination of the Ionization Potential of Americium and Curium

1995

First successful ionization of Lr (Z = 103) by a surface-ionization technique.

2013

We have developed a surface ionization ion-source as part of the JAEA-ISOL (Isotope Separator On-Line) setup, which is coupled to a He/CdI2 gas-jet transport system to determine the first ionization potential of the heaviest actinide lawrencium (Lr, Z = 103). The new ion-source is an improved version of the previous source that provided good ionization efficiencies for lanthanides. An additional filament was newly installed to give better control over its operation. We report, here, on the development of the new gas-jet coupled surface ion-source and on the first successful ionization and mass separation of 27-s (256)Lr produced in the (249)Cf + (11)B reaction.

Resonance laser ionization spectroscopy of tellurium

2019

Abstract Resonance ionization schemes for tellurium are investigated with a resonance ionization laser ion source and Ti:Sapphire lasers for fundamental research applications. We present the first three-step resonance ionization spectra of atomic Te. Several autoionizing Rydberg series converging to the first excited state of Te+ are observed and assigned to 5p3 (2Do3/2) ns and nd configurations. Our results include confirmation and significant expansion of the Rydberg series previously reported as well as observation of three new series. From the series convergence limits the ionization potential of tellurium is revised to be 72,669.006(42)stat(20)sys cm−1.

Energy level determination in bulk heterojunction systems using photoemission yield spectroscopy: case of P3HT:PCBM

2018

Financial support provided by Scientific Research Project for Students and Young Researchers Nr. SJZ2015/20 realized at the Institute of Solid State Physics, University of Latvia, is greatly acknowledged. This work has been supported by the Latvian State Research Program on Multifunctional Materials IMIS2. Jennifer Mann from Physical Electronics is greatly acknowledged for providing UPS data.

First Determination of the Ionization Potential of Actinium and First Observation of Optical Transitions in Ferminm

2002

For the determination of the first ionization potential of actinium, 227Ac was electrodeposited on a Ta backing and covered with ~1 μm Zr. From this filament, Ac atoms were evaporated at ≥ 1250 °C. By resonant excitation with UV light of 388.67 nm and subsequent excitation with light of ca. 568 nm, Ac was ionized in an external electrical field. By determining the ionization thresholds as a function of the electrical field strength and by extrapolation to zero field strength, the first ionization potential of 43398(3) cm−1 = 5.3807(3) eV was measured.About 1 ng of 255Fm, half life 20.1 h, was prepared at ORNL by milking from 255Es produced in the High Flux Isotope Reactor and shipped to Mai…

Theoretical determination of the geometric and electronic structures of oligorylenes and poli(peri‐naphthalene)

1992

We present a theoretical investigation of the electronic structure of oligorylenes (from perylene to heptarylene, including also the naphthalene molecule) and their corresponding polymer poly(peri‐naphthalene) (PPN) using the nonempirical valence effective (VEH) method. The geometry of the unit cell used to generate the polymer is extrapolated from the PM3‐optimized molecular geometries of the longest oligorylenes. That geometry shows some bond alternation along the perimeter carbon chains and a bond length of ≊1.46 Å is calculated for the peri bonds connecting the naphthalene units. The VEH one‐electron energy level distributions calculated for oligorylenes are used to interpret the experi…

Theoretical study of the effect of substituent and backbone conformation on the electronic properties of symmetrically substituted poly(di‐n‐alkylsil…

1994

We present the results of ab initio 3‐21G∗ geometry optimizations and valence effective Hamiltonian (VEH) band structure calculations aimed at determining the evolution of the geometric and electronic (ionization potential, electron affinities, and band gaps) properties of all‐trans poly(dimethylsilane), poly(diethylsilane), poly(di‐n‐propylsilane), and poly(di‐n‐butylsilane) when increasing the size of the alkyl group. In the latter polymer, we have also studied the 7/3 conformation, in order to analyze the effect of the backbone conformation on the geometric and electronic structure. The VEH ionization potentials of all‐trans poly(di‐n‐alkylsilanes) are almost equal, and as experimental p…

Rational computing of energy levels for organic electronics: the case of 2-benzylidene-1,3-indandiones

2016

Device engineering in organic electronics, an active area of research, requires knowledge of the energy levels of organic materials (traditionally but ambiguously denoted as HOMO and LUMO). These can be effectively determined by electrochemical investigation, but yet more effective would be quantum chemical (QC) computation of these quantities. However, there is no consensus on the computational method in the research community. Ongoing discussions often focus on choosing the right density functional method, but neglect other model parameters, in particular, the basis set. This study considers comparison of various methodologies and parameters for predicting ionization energy I and electron…

Lower Rydberg series of methane: a combined coupled cluster linear response and molecular quantum defect orbital calculation.

2006

Vertical excitation energies as well as related absolute photoabsorption oscillator strength data are very scarce in the literature for methane. In this study, we have characterized the three existing series of low-lying Rydberg states of CH4 by computing coupled cluster linear response (CCLR) vertical excitation energies together with oscillator strengths in the molecular-adapted quantum defect orbital formalism from a distorted Cs geometry selected on the basis of outer valence green function calculations. The present work provides a wide range of data of excitation energies and absolute oscillator strengths which correspond to the Rydberg series converging to the three lower ionization p…

Measurement of the first ionization potential of astatine by laser ionization spectroscopy

2013

The radioactive element astatine exists only in trace amounts in nature. Its properties can therefore only be explored by study of the minute quantities of artificially produced isotopes or by performing theoretical calculations. One of the most important properties influencing the chemical behaviour is the energy required to remove one electron from the valence shell, referred to as the ionization potential. Here we use laser spectroscopy to probe the optical spectrum of astatine near the ionization threshold. The observed series of Rydberg states enabled the first determination of the ionization potential of the astatine atom, 9.31751(8) eV. New ab initio calculations are performed to sup…