Abstract
Two derivatives of organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2), where L = (2,2′-(1E,1′E)-(2,2-dimethylpropane-1,3-dyl)bis(azanylylidene, THF = Tetrahydrofuran, Alc = Alcohol), have been prepared. These complexes have been determined by elemental analyses, single crystal X-ray crystallography and various spectroscopic studies. Moreover, the structure of these complexes have also been studied by DFT and time dependent DFT measurements showing that both the complexes have distorted pentagonal bipyramidal environment around uranyl ion. TD-DFT results indicate that the complex 1 displays an intense band at 458.7 nm which is mainly associated to the uranyl centered LMCT, where complex 2 shows a band at 461.8 nm that have significant LMCT character. The bonding has been further analyzed by EDA and NBO. The photocatalytic activity of complexes 1 and 2 for the degradation of rhodamine-B (RhB) and methylene blue (MB) under the irradiation of 500W Xe lamp has been explored, and found more efficient in presence of complex 1 than complex 2 for both dyes. In addition, dye adsorption and photoluminescence properties have also been discussed for both complexes.
Highlights
We are reporting the structure investigations of two derivatives of salen ligand based organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2) supported by single crystal X-ray diffraction measurements and various spectroscopic studies
We have employed our complexes in photocatalysis and found them effective for the degradation of rhodamine-B (RhB) and methylene blue (MB)
The compounds consists of complex molecules composed from the double deprotonated tetrafunctional chelating N,N′-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine www.nature.com/scientificreports/
Summary
We are reporting the structure investigations of two derivatives of salen ligand based organouranyl mononuclear complexes [UO2(L)THF] (1) and [UO2(L)Alc] (2) supported by single crystal X-ray diffraction measurements and various spectroscopic studies. To make a deeper understanding, a comprehensive computational study on the electronic structure and bonding has been carried out using DFT calculations. The photocatalytic activity of these complexes have been investigated and found that both the complexes exhibit remarkable photocatalytic activity on the degradation of rhodamine B (RhB) and methylene blue (MB) dyes. We have studied their adsorption and photoluminescent applications
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