Mechanism of anionic coordination dimerization of isoprene

1981 ◽  
Vol 46 (7) ◽  
pp. 1600-1606 ◽  
Author(s):  
Jan Bartoň ◽  
Karel Volka ◽  
Miroslav Kašpar ◽  
Vlastimil Růžička
Keyword(s):  
Gas Chromatography ◽  
Alkali Metal ◽  
Absorption Spectra ◽  
Visible Radiation ◽  
Absorption Bands ◽  
Absorption Spectrophotometry ◽  
Spectrophotometric Data ◽  
Oligomeric Forms

The mechanism of controlled anionic coordination dimerization of isoprene (i.e. 2-methyl-1,3-butadiene) in the system tetrahydrofuran-isoprene-alkali metal-dialkylamine was investigated by using absorption spectrophotometry in the range of visible radiation and gas chromatography. The effect of the alkali metal (Li, Na, K) and dialkylamine (dicyclohexylamine, N-isopropylcyclohexylamine, N-methylisopropylamine) on the absorption spectra was tested. By comparing chromatographic and spectrophotometric data, the absorption bands in the range of visible radiation were identified with the existence of π-complexes between oligomeric forms of isoprene and alkali metal dialkylamide.

scholarly journals Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Christian Wiebeler ◽  
Joachim Vollbrecht ◽  
Adam Neuba ◽  
Heinz-Siegfried Kitzerow ◽  
Stefan Schumacher
Keyword(s):  
Absorption Spectra ◽  
Density Functional ◽  
Energy Levels ◽  
Spectroscopic Properties ◽  
Absorption Bands ◽  
Functional Theory ◽  
Vertical Excitation ◽  
Hartree Fock ◽  
Tauc Plot ◽  
Electrochemical Approach

AbstractA detailed investigation of the energy levels of perylene-3,4,9,10-tetracarboxylic tetraethylester as a representative compound for the whole family of perylene esters was performed. It was revealed via electrochemical measurements that one oxidation and two reductions take place. The bandgaps determined via the electrochemical approach are in good agreement with the optical bandgap obtained from the absorption spectra via a Tauc plot. In addition, absorption spectra in dependence of the electrochemical potential were the basis for extensive quantum-chemical calculations of the neutral, monoanionic, and dianionic molecules. For this purpose, calculations based on density functional theory were compared with post-Hartree–Fock methods and the CAM-B3LYP functional proved to be the most reliable choice for the calculation of absorption spectra. Furthermore, spectral features found experimentally could be reproduced with vibronic calculations and allowed to understand their origins. In particular, the two lowest energy absorption bands of the anion are not caused by absorption of two distinct electronic states, which might have been expected from vertical excitation calculations, but both states exhibit a strong vibronic progression resulting in contributions to both bands.

Excitonic Bands in the Optical Absorption Spectra of A3MX6 and A3M2X9 (A = MeNH3, Me2NH2, Me3NH, Me4N; M = Bi, Sb; X = Cl, Br, I)

1994 ◽  
Vol 49 (6) ◽  
pp. 849-851 ◽  
Author(s):  
G. C. Papavassiliou ◽  
I. B. Koutselas
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Spectral Region ◽  
Visible Spectral Region ◽  
Optical Absorption Spectra ◽  
Absorption Bands ◽  
Uv Visible ◽  
Low Dimensional

The title compounds (natural low-dimensional semiconductors) show strong excitonic optical absorption bands in the UV-visible spectral region, because of the dielectric confinement of excitons. as in the cases of other similar systems based on PbX2-4, SnX2-4. PtI - X - PtIV-X , Cdx,Sy-clusters etc

scholarly journals The absorption spectra of halogens and inter-halogen compounds in solution in carbon tetrachloride

1929 ◽  
Vol 124 (795) ◽  
pp. 604-616 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Carbon Tetrachloride ◽  
Absorption Spectra ◽  
Spectroscopic Data ◽  
Chemical Interaction ◽  
Chemical Compounds ◽  
Absorption Bands ◽  
Halogen Compounds ◽  
Inert Solvent ◽  
The Mean

When two solutions are mixed the absorption spectrum of the new solution will be the mean of those of the separate solutions provided that no chemical interaction occures. The mere fact of a departure from additivity does not, however, necessarily denote the formation of true chemical compounds. The solute or solutes may undergo solvation, loosely bound aggregates may occur, and even when marked deviations from the simple law of mixtures are observed it is rarely possible to prove the quantitative formation of a given chemical compound from spectroscopic data alone. The above considerations apply with some force to the problem of the absorption spectra of halogens and inter-halogen compounds in an inert solvent. The three elements show perfectly characteristic absorption bands, they are known to interact with the formation of some quite stable compounds, some relatively stable compounds, and some apparently very unstable compounds.

Halogen-Substitution Effect on the Optical Absorption Bands of Uracil*

1974 ◽  
Vol 29 (9-10) ◽  
pp. 493-495 ◽  
Author(s):  
Wolfgang Lohmann
Keyword(s):  
Optical Absorption ◽  
Linear Function ◽  
Absorption Spectra ◽  
Electron Affinity ◽  
Substitution Effect ◽  
Ultraviolet Absorption ◽  
Red Shift ◽  
Electron Affinities ◽  
Absorption Bands ◽  
Extinction Coefficients

Abstract The ultraviolet absorption spectra of uracil and its 5-halogenated derivatives have been in ­ vestigated in regard to the electron attracting properties of the substituents. It could be shown that the position of the two absorption bands is proportional to the inverse of the electronegativity; the extinction coefficients are a linear function of the electron affinities. In this way, the red shift obtained upon substitution with halogens can be explained. Also, the decrease in absorbance of the absorption bands at λ > 250 nm, occuring concomitant­ ly, is understandable. The increase in absorbance with increasing electron affinity, as observed in the case of the absorption bands at λ < 250 nm, might question the assumption that this band is due to a higher pi -pi* excitation

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