“…This transition relates to the transformation from enol to a ketone tautomer. DFT calculations have shown that keto-form is the most stable isomer for diketones with heavy chalcogens (Se and Te , ) but for other compounds the results were opposite . A more careful search of optimization geometries has demonstrated that for all diketones the keto-form is predominant in water.…”
Section: Resultsmentioning
confidence: 99%
“…Spectral data were previously published in the series of works − listed in the corresponding Supporting Information. Each metal–ligand system has been studied in water media (concentration of ethanol does not exceed 2%) under the excess metal ions ( C M ≫ C L , of 10 times or more) at a constant concentration of ligand (molar series method).…”
Section: Methodsmentioning
confidence: 99%
“…This property makes it possible to measure the chelation process between REMs and diketones using optical spectrophotometric apparatuses and determine spectral as well as thermodynamic parameters. Using this opportunity, our research team has studied several β-diketones, − some of which have been obtained for the first time. , All of these ligands can be divided into two groups: diketones with a five-membered chalcogen ring and ones with a substituted phenyl moiety (Figure ). A total of 170 conditional stability constants were determined and over 1100 single spectra of the complex species were recorded.…”
Section: Introductionmentioning
confidence: 99%
“…Using this opportunity, our research team has studied several βdiketones, 19−23 some of which have been obtained for the first time. 24,25 All of these ligands can be divided into two groups: diketones with a five-membered chalcogen ring and ones with a substituted phenyl moiety (Figure 1). A total of 170 conditional stability constants were determined and over 1100 single spectra of the complex species were recorded.…”
Over the course of the past several decades, spectroscopic surveys have unveiled the intricate nature of the aqueous chelation of Rare Earth Metals. Herein, we have collected a large data set about the interaction between 16 metal ions
“…This transition relates to the transformation from enol to a ketone tautomer. DFT calculations have shown that keto-form is the most stable isomer for diketones with heavy chalcogens (Se and Te , ) but for other compounds the results were opposite . A more careful search of optimization geometries has demonstrated that for all diketones the keto-form is predominant in water.…”
Section: Resultsmentioning
confidence: 99%
“…Spectral data were previously published in the series of works − listed in the corresponding Supporting Information. Each metal–ligand system has been studied in water media (concentration of ethanol does not exceed 2%) under the excess metal ions ( C M ≫ C L , of 10 times or more) at a constant concentration of ligand (molar series method).…”
Section: Methodsmentioning
confidence: 99%
“…This property makes it possible to measure the chelation process between REMs and diketones using optical spectrophotometric apparatuses and determine spectral as well as thermodynamic parameters. Using this opportunity, our research team has studied several β-diketones, − some of which have been obtained for the first time. , All of these ligands can be divided into two groups: diketones with a five-membered chalcogen ring and ones with a substituted phenyl moiety (Figure ). A total of 170 conditional stability constants were determined and over 1100 single spectra of the complex species were recorded.…”
Section: Introductionmentioning
confidence: 99%
“…Using this opportunity, our research team has studied several βdiketones, 19−23 some of which have been obtained for the first time. 24,25 All of these ligands can be divided into two groups: diketones with a five-membered chalcogen ring and ones with a substituted phenyl moiety (Figure 1). A total of 170 conditional stability constants were determined and over 1100 single spectra of the complex species were recorded.…”
Over the course of the past several decades, spectroscopic surveys have unveiled the intricate nature of the aqueous chelation of Rare Earth Metals. Herein, we have collected a large data set about the interaction between 16 metal ions
This work summarizes a spectral dataset of diketonate complexes and demonstrates the fundamental relationship between their spectral lines and the coordination nature of the metal ion.
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