Topic
Excited state
About: Excited state is a research topic. Over the lifetime, 102202 publications have been published within this topic receiving 2234412 citations.
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TL;DR: In this article, the luminescence properties of 41 different Eu(III) and Tb(III), chelates that were synthesized with the purpose of developing new markers for chemical and biochemical applications were measured in aqueous solution and their suitability for labels in time resolved immunoassays were evaluated.
1,466 citations
TL;DR: In this paper, the electrostatic attraction between the separated charges in long-range excited charge-transfer states originates from the non-local Hartree-Fock exchange potential and is a nonlocal property.
Abstract: The electrostatic attraction between the separated charges in long-range excited charge-transfer states originates from the non-local Hartree-Fock exchange potential and is, thus, a non-local property. Present-day time-dependent density functional theory employing local exchange-correlation functionals does not capture this effect and therefore fails to describe charge-transfer excited states correctly. A hybrid method that is qualitatively correct is described.
1,455 citations
TL;DR: In this article, a general formula for the difference of solvent shifts of fluorescence and absorption spectra in the approximation of long range dipolar interaction was derived using Ooshika's theory of light absorption in solution.
Abstract: A general formula for the difference of solvent shifts of fluorescence and absorption spectra in the approximation of long range dipolar interaction was derived using Ooshika’s theory of light absorption in solution. Measurements of fluorescence and absorption spectra of some naphthalene derivatives in various organic solvents were undertaken, and the data were analysed by the theoretical formula. The formula reproduces the experimental data satisfactorily, and from this fact it was concluded that the most predominant factor which determines the difference of solvent shifts of fluorescence and absorption spectra of these molecules is the interaction energy between solute and solvent molecules due to orientation polarization. The incremental values of dipolemoments in the excited state were estimated, and those for α-, β-naphthols and β-naphthyl methyl ether were interpreted as due to the increase of electron migration from the substituent in the excited state.
1,404 citations
TL;DR: In this paper, a semi-empirical approach was used to calculate the energy of the ground state and the first few excited states of permanganate, chromate, and perchlorate ions.
Abstract: We have made use of a semiempirical treatment to calculate the energies of the molecular orbitals for the ground state and the first few excited states of permanganate, chromate, and perchlorate ions. The calculation of the excitation energies is in agreement with the qualitative features of the observed spectra, i.e., absorption in the far ultraviolet for ClO4−, two strong maxima in the visible or near ultraviolet for MnO4− and CrO4= with the chromate spectrum displaced toward higher energies. An approximate calculation of the relative f‐values for the first transitions in CrO4= and MnO4− is also in agreement with experiment.The data on the absorption spectra of permanganate ion in different crystalline fields is interpreted in terms of the symmetries of the excited states predicted by our calculations.
1,344 citations
TL;DR: In this paper, a quantitative theory for the shapes of the absorption bands of F -centres is given on the basis of the Franck-Condon principle, and it is shown that the absorption constant as a function of frequency and temperature can be expressed in terms of Bessel functions with imaginary arguments.
Abstract: A quantitative theory for the shapes of the absorption bands of F -centres is given on the basis of the Franck-Condon principle. Underlying the treatment are two simplifying assumptions: namely, ( a ) that the lattice can be approximately treated as a dielectric continuum; ( b ) that in obtaining the vibrational wave functions for the lattice, the effect of the F -centre can be considered as that of a static charge distribution. Under these assumptions, it is shown that the absorption constant as a function of frequency and temperature can be expressed in terms of the Bessel functions with imaginary arguments. The theoretical curves for the absorption constant compare very favourably with the experimental curves for all temperatures. Also considered in the paper are the probabilities of non-radiative transitions, which are important in connexion with the photo-conductivity observed following light absorption by F -centres. The treatment given differs from the qualitative considerations hitherto in one important aspect, namely, the strength of the coupling between the electron and the lattice is taken into account. The adiabatic wave functions for the F -centre electron required for the discussion are obtained by perturbation methods. The probability for an excited F -centre to return to its ground state by non-radiative transitions is shown to be negligible; similar transitions to the conduction band are, however, important if the excited state is separated from the conduction band by not much more than 0·1 eV. The temperature dependence of such transitions is complicated, but, for a wide range of temperatures, resembles e - w/k T . Tentative estimates show that the result is Consistent with the observed steep drop of the photo-conductive current with temperature.
1,314 citations