Search results for " SCSA"

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Synthesis, characterization and conformational analysis of chloro-bis(glycylglycinate)germanium(IV) chloride

2011

Chloro-bis(glycylglycinate)germanium(IV) chloride, [Cl(glygly)2Ge]Cl, was synthesized and characterized in the solid state by elemental analysis, thermogravimetry and infrared spectroscopy. Solution studies were also performed by 1H-NMR and 13C-NMR in dimethylsulfoxide (DMSO-d6) and by electric conductivity. The structural determination of the complex and the interpretation of the spectroscopic results were performed by employing an integrated computational approach, based on a systematic conformational search analysis on the [Cl(glygly)2Ge]+ ion performed by the Systematic Conformational Search Algorithm (SCSA) code, working at the hybrid B3LYP/6-31G(d,p) level. The combination of experime…

germanium(IV) chloride glycvylglycinate syntesisthermogravimetrtryspectroscopy infrared SCSAInfrared spectroscopychemistry.chemical_elementGermaniumGeneral ChemistryChlorideCatalysisIonCharacterization (materials science)ThermogravimetryCrystallographychemistryElectrical resistivity and conductivityElemental analysisSettore CHIM/03 - Chimica Generale E InorganicaMaterials Chemistrymedicinemedicine.drug
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