Spectrum–structure correlation for visible absorption spectra of copper(II) complexes showing axial co-ordination in aqueous solution

Polyhedron ◽  
2006 ◽  
Vol 25 (15) ◽  
pp. 2815-2823 ◽  
Author(s):  
Enrico Prenesti ◽  
Pier Giuseppe Daniele ◽  
Silvia Berto ◽  
Simona Toso
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Visible Absorption ◽  
Structure Correlation ◽  
Spectrum Structure

The aggregation and reaction with oxygen of the tetrasodium salt of cobalt phthalocyanine-4,4',4'',4'''-tetrasulphonic acid

1973 ◽  
Vol 26 (2) ◽  
pp. 319 ◽  
Author(s):  
LC Gruen ◽  
RJ Blagrove
Keyword(s):  
Aqueous Solution ◽  
Ionic Strength ◽  
Molecular Oxygen ◽  
Absorption Spectra ◽  
Alkaline Solution ◽  
Cobalt Phthalocyanine ◽  
Visible Absorption ◽  
Reversible Addition ◽  
Dimeric Form ◽  
Low Ionic Strength

The reversible addition of molecular oxygen to the tetrasodium salt of cobalt phthalocyanine-4,4?,4?,4??-tetrasulphonic acid in aqueous solution has been confirmed. Visible absorption spectra of the monomeric and dimeric species and of the oxygen adduct have been determined. A monomer-dimer system prevails at neutral pH, low ionic strength, and low dye concentrations. The oxygen adduct and the dimeric form of the dye predominate in alkaline solution.

Interplay between conformational and solvent effects in UV-visible absorption spectra: curcumin tautomers as a case study

2019 ◽  
Vol 21 (28) ◽  
pp. 15504-15514 ◽  
Author(s):  
Alessandra Puglisi ◽  
Tommaso Giovannini ◽  
Liudmil Antonov ◽  
Chiara Cappelli
Keyword(s):  
Aqueous Solution ◽  
Experimental Study ◽  
Absorption Spectra ◽  
Solvent Effects ◽  
Visible Absorption ◽  
Tautomeric Forms ◽  
Uv Visible

We present a combined theoretical and experimental study on the UV-vis spectra of enol–keto (EK) and keto–keto (KK) tautomeric forms of curcumin dissolved in aqueous solution.

Simulation of UV Absorption Spectra and Relaxation Dynamics of Uracil and Uracil-Water Clusters

2020 ◽  
Author(s):  
Branislav Milovanović ◽  
Jurica Novak ◽  
Mihajlo Etinski ◽  
Wolfgang Domcke ◽  
Nadja Doslic
Keyword(s):  
Aqueous Solution ◽  
Gas Phase ◽  
Absorption Spectra ◽  
Absorption Spectroscopy ◽  
Water Clusters ◽  
Uv Absorption ◽  
Relaxation Dynamics ◽  
Nonradiative Relaxation ◽  
Uv Absorption Spectra ◽  
Uv Absorption Spectroscopy

Despite many studies, the mechanisms of nonradiative relaxation of uracil in the gas phase and in aqueous solution are still not fully resolved. Here we combine theoretical UV absorption spectroscopy...

Influence of Electron Injection Rate in Triphenylamine Based Dye for Dye-Sensitized Solar Cells: A First Principle Study

2019 ◽  
Vol 233 (9) ◽  
pp. 1247-1259
Author(s):  
Madhu Prakasam
Keyword(s):  
Solar Cells ◽  
Absorption Spectra ◽  
Density Functional ◽  
Dye Sensitized Solar Cells ◽  
Visible Region ◽  
Electron Injection ◽  
Injection Rate ◽  
Visible Absorption ◽  
Dye Sensitized ◽  
Sensitized Solar Cells

Abstract In this work, we systematically investigate the impacts of electron-donor based on Triphenylamine (TPA). The Geometry structure, energy levels, light-harvesting ability and ultraviolet-visible absorption spectra were calculated by using Density Functional Theory (DFT) and Time-Dependent-DFT. The electron injection rate of the TPA-N(CH3)2 based dyes has 0.71 eV for high among the dye sensitizer. The First and Second order Hyperpolarizability of the 11.95 × 10−30 e.s.u and 12195.54 a.u, respectively for TPA-N(CH3)2 based dye. The calculated absorption spectra were showed in the ultra-violet visible region for power conversion region. The study reveals that the electron transfer character of TPA-N(CH3)2 based dyes can be made suitable for applications in Dye-Sensitized Solar Cells.

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