Highly crystalline and pure lithium metasilicate (Li2SiO3) and lithium disilicate (Li2Si2O5) nanomaterials were synthesized by hydrothermal method and characterized by PXRD technique. The changes in the morphology and particle size of the synthesized nanomaterials with reaction time were investigated using SEM technique. The UV-Vis and photoluminescence spectra of the compounds were studied. Th...

The kinetics of reaction between 4-methylaniline (1), dimethyl acetylenedicarboxylate (2) and formaldehyde (4) has been theoretically investigated to gain further insight into the reaction mechanism. The results of theoretical calculations were achieved using the ab initio method at the HF/6-311g (d, p) level of theory in gas phase. The mechanism of this reaction had 5 steps. Theoretical kineti...

In the present work, the quantum theoretical calculations of the molecular structure of the (N-(2-benzoylphenyl) oxalamate has been investigated and are evaluated using Density Functional Theory (DFT). The geometry of the title compound was optimized by B3LYP method with 6-311+G(d) basis set. The theoretical 1H and 13C NMR chemical shift (GIAO method) values of the title compound are calculated...

One of the most abundant elements in the universe is silicon, and several studies have already been performed on their silicate forms. Nevertheless, few species with the SiO bond have been detected in the interstellar space [1][2]. Recently, spectroscopic techniques have detected SiS in some interstellar clouds, and SiO in minor amounts. These two diatomic molecules can be related to a depletio...

Four derivatives of 2,6-diaminopurine (1) were synthesised and characterised. When 1 was reacted with chloroacetaldehyde, 5-aminoimidazo[2,1-i]purine (2), 9-aminoimidazo[2,1-b]purine (3), 9-aminoimidazo[1,2-a]purine (4) and diimidazo[2,1-b:2',1'-i]purine (5) were formed. The purified products (3-5) were fully characterised by MS, complete NMR assignments as well as fluorescence and UV spectrosc...