TAILIEUCHUNG - Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

The effect of the coordination of a Ni(II) ion on the electronic and magnetic properties of the ligand salophen were experimentally and theoretically evaluated. The complex [Ni(salophen)] was synthesized and characterized through FTIR and an elemental analysis. Spectral data obtained using DMSO as a solvent showed that the ligand absorption profile was significantly disturbed after the coordination of the metal atom. In addition to a redshift of the salophen ligand absorption bands, mainly composed by p ? p⁄ electronic transitions, additional bands of around 470 nm were observed, resulting in a partial metal-to-ligand charge transfer. Furthermore, a significant increment of its band intensities was observed, favoring a more intense absorption in a broader range of the visible spectrum, which is a desired characteristic for applications in the field of organic electronics. This finding is related to an increment of the planarity and consequent electron delocalization of the macrocycle in the complex, which was estimated by the calculation of the current strengths at the PBE0/cc-pVTZ ( for Ni(II)) level 2017 Production and hosting by Elsevier . on behalf of Cairo University | Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

• Vật lý
• Nickel complex
• Magnetic properties
• DFT study
• Theoretically evaluated
• Elemental analysis
• Journal of Chemistry
• Nickel(II) complex
• Structural analysis
• Antioxidant capacity
• Radical scavenging activity
• Hydrazone derivatives
• Bidentate Schiff base ligand
• Copper complex
• Antimicrobial activity
• Dominican Republic
• Biogeography
• Intertidal Barnacles
• Biogeographic Insights
• Central American
• Cycad Biology
• Turkish Journal of Chemistry
• Tạp chí Hóa học
• Thermodynamic parameters
• Software program
• Thermal analysis methods
• Transition metal complexes
• Car glasses
• Forensic science
• Nuclear techniques
• Neutron activation analysis
• Internal monostandard
• K0 standardization method
• Dalat nuclear research reactor
• Neutron spectrum parameters
• Elemental concentration analysis
• Neutron flux distribution
• Agricultural sciences
• Comparative fatty acid
• Trace elemental analysis identified
• Commercial applications
• Biochemical traits
• Desert shrub
• Ancient bronze coins
• X ray fluorescence technique
• Simultaneously radioisotope source
• X ray tube
• Absorption Spectrometry
• Elemental Profiling
• Metal Analysis
• Atomic Absorption
• Nutritional Metals
• Mineral Content
• Trình bày báo cáo
• tài liệu báo cáo khoa học
• nghiên cứu y học
• báo cáo y học
• kiến thức y học
• Characterial the complexes of Eu
• Mixture ligand l leucine and Imidazole
• The elemental analysis method
• The complexes thermal dissociation
• Thiadiazolo[3
• 2 a]pyrimidine
• RHF ab initio calculations
• Annulated ring junction pyrimidine derivatives
• Ab initio calculations
• Elemental analysis and spectral data
• BMC Pulmonary Medicine
• Usual interstitial pneumonia
• Regular health examinations
• Occupational hygiene measure
• Standardization method
• Neutron flux correction
• Radioisotopes production
• Ciprofloxacin imines
• Coordination compounds
• Antibacterial activity
• P substituted anilines
• BMC Chemistry
• Certified reference material
• Homogeneity test
• Macro elements
• Micro elements
• Trace elements
• Benzimidazole pyrazole
• Anti ulcer
• Autodock vina
• Benzimidazole pyrazole hybrid molecules
• PARP inhibitors
• Molecular docking
• Thin layer chromatography
• High performance liquid chromatography
• Microwave irradiation
• 4 nitrophenol oxidation
• 2 (2 benzothiazolylthio)ethoxy group
• UV Vis elemental analysis
• Mesoporous materials
• 6 mercaptopurine
• Drug delivery system
• Ion exchange