Search results for "Electronic transition"
showing 10 items of 61 documents
Photokinetic examination of (Z,E,E)-4,4′-distyrylazobenzene
1995
Abstract 4,4′-Distyrylazobenzenes demonstrate a photokinetic equilibrium and a superimposed thermal backward reaction in which the absorption coefficient of one of the partners in the equilibrium is principally unknown. Using the dependence of the photostationary state on the irradiation intensity, the photochemical quantum yields ϕ 1 A and ϕ 2 B were determined, as well as the thermal rate constant k , as a function of the irradiation and observation wavelengths. Experimental difficulties and the wavelength dependence of ϕ 1 A and ϕ 2 B are discussed.
Low temperature optical spectroscopy of low-spin ferric hemeproteins
1996
We report the Soret absorption spectra (500-350 nm) of the cyanomet derivatives of human hemoglobin and horse myoglobin, in the temperature range 300-20 K and in two different solvents (65% v/v glycerol-water or 65% v/v ethylene glycol-water). In order to obtain information on stereodynamic properties of active site of the two hemeproteins, we perform an analysis of the band profiles within the framework of electron-vibrations coupling. This approach enables us to single out the various contributions to the spectral bandwidth, such as those arising from non-radiative decay of the excited electronic state (homogeneous broadening) and from the coupling of the electronic transition i) with hig…
Relativistic J-dependence of the isotope shift in the 6s-6p doublet of Ba II
1984
The collinear laser-ion beam technique has been used to measure the isotope shift and hyperfine structure in the 6s-6p doublet (4,934A, 4,554A) of Ba II for all seven stable isotopes. The influence of the excited2P1/2 and2P3/2 states on the field shift leads to a difference of 2.5(3)% in the electronicF factors. The specific mass shifts differ by {A′-A} 2.2(3) MHz which corresponds to about 12% of the normal mass shift.
Electronic Band Transitions in γ-Ge3N4
2021
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Support from Estonian Research Council grant PUT PRG 619 is gratefully acknowledged. The multi-anvil experiments at LMV were supported by the French Government Laboratory of Excellence initiative no ANR-10-LABX-0006, the Région Auvergne and the European Regional Development Fund (ClerVolc Contribution Number 478).
Quadrupole moments of radium isotopes from the 7p 2 P 3/2 hyperfine structure in Ra II
1988
The hyperfine structure and isotope shift of221–226Ra and212,214Ra have been measured in the ionic (Ra II) transition 7s 2 S 1/2–7p 2 P 3/2 (λ=381.4 nm). The method of on-line collinear fast-beam laser spectroscopy has been applied using frequency-doubling of cw dye laser radiation in an external ring cavity. The magnetic hyperfine fields are compared with semi-empirical and ab initio calculations. The analysis of the quadrupole splitting by the same method yields the following, improved values of spectroscopic quadrupole moments:Q s (221Ra)=1.978(7)b,Q s (223Ra)=1.254(3)b and the reanalyzed valuesQ s (209Ra)=0.40(2)b,Q s (211Ra)=0.48(2)b,Q s (227Ra)=1.58(3)b,Q s (229Ra)=3.09(4)b with an ad…
Spectroscopic and theoretical study of the molecular and electronic structures of a terthiophene-based quinodimethane.
2004
The UV/Vis, infrared absorption, and Raman scattering spectra of 3',4'-dibutyl-5,5"-bis(dicyanomethylene)-5,5"-dihydro-2,2':5',2"-terthiophene have been analyzed with the aid of density functional theory calculations. The compound exhibits a quinoid structure in its ground electronic state and presents an intramolecular charge transfer from the terthiophene moiety to the C(CN)2 groups. The molecular system therefore consists of an electron-deficient terthiophene backbone end-capped with electron-rich C(CN)2 groups. The molecule is characterized by a strong absorption in the red, due to the HOMO-->LUMO pi-pi* electronic transition of the terthiophene backbone that shifts hypsochromically on …
Isotope shift and hyperfine structure of stable platinum isotopes
1987
Isotope shift (IS) and hyperfine structure (hfs) measurements have been performed on seven lines of the platinum I spectrum with interference as well as laser fluorescence spectroscopy. In the latter case a frequency-doubled single-mode cw dye laser was applied. The IS of190Pt with a natural abundance of only 0.01% was determined to beδν 190, 192=−38.65(8) mK in theλ306.47 nm transition. The IS parameters and the effective hfs integrals in the configuration (5d+6s)10 were determined in intermediate coupling by a least squares fit of the IS and hfs data with eigenvectors obtained from the platinum fine structure (fs). The results are compared with theoretical values and yield improvedδ〈r 2〉 …
Excitonic absorption and Urbach's tail in bismuth sulfide single crystals
1988
The absorption coefficient of bismuth sulfide single crystals has been measured through more than four orders of magnitude and in the range of energies from 1.25 to 1.70 eV. A detailed study as a function of temperature has been carried out from 29 to 300 K. An Urbach tail for low values of absorption has been found. This tail and its temperature evolution fit the expression for ionic materials. An excitonic region appears at low temperature and the shape of the exciton peak is Gaussian, which corresponds to a strong exciton-phonon coupling. The exciton binding energy is estimated (28±3 meV) and then the energy gap at 29 K is obtained (Eg=1.523±0.003 eV). The fundamental electronic transiti…
From linear quaterthiophene to sulflower: A comparative theoretical study
2009
Abstract In this paper, we report a theoretical study of four types of thiophene-based oligomers showing the same number of C C double bonds and very different molecular structures. The comparative study has been performed on the basis of B3LYP/6-31G∗∗ calculations. The way the thiophene rings are linked together has a remarkable influence on the molecular and electronic properties. Linear quaterthiophene and heptathienoacene show similar aromatic structures but a loss of π-conjugation is detected for the latter due to the condensation of thiophene rings. A blue shift of the most intense electronic transition is predicted for fused heptathienoacene compared with non-fused quaterthiophene. C…
Cyclooctadienine — hoch gespannte C 8 H 8 ‐Kohlenwasserstoffe
1985
Mit Hilfe der MNDO-Methode werden die energiearmsten Konformationen der vier strukturisomeren Cyclooctadienine 1–4 berechnet. Aus ihren Bildungswarmen ΔHf konnen durch Bezug zu den Cyclooctatrienen 5 und 6 die geometrischen Ringspannungen Eg abgeschatzt werden. Als experimentelle Sonde fur die Ringspannung dienen die UV-, IR (Raman)- und 13C-NMR-Spektren. Cyclooctadienynes — Highly Strained C8H8-Hydrocarbons Applying the MNDO-method the conformations with lowest energy of the isomeric cyclooctadienynes 1–4 are calculated. The geometrical ring strains Eg can be evaluated from the enthalpies of formation ΔHf in relation to the cyclooctatrienes 5 and 6. UV, IR (Raman) and 13C NMR spectra serve…