Cargando…

Spectroscopic properties and molecular structure of copper phytate complexes: IR, Raman, UV–Vis, EPR studies and DFT calculations

The copper phytate IP6Cu, IP6Cu(2) and IP6Cu(3) complexes were synthesized changing the phytate to metal mole ratio. The obtained products have been characterized by means of chemical and spectroscopic studies. Spectroscopic ATR/IR, FT-Raman, UV–Vis, EPR and magnetic measurements were carried out. T...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zając, A., Dymińska, L., Lorenc, J., Kaczmarek, S. M., Leniec, G., Ptak, M., Hanuza, J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer Berlin Heidelberg 2018
Materias:	Original Paper
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6394811/ https://www.ncbi.nlm.nih.gov/pubmed/30357474 http://dx.doi.org/10.1007/s00775-018-1622-0

Ejemplares similares

Physicochemical Characterization of the Loganic Acid–IR, Raman, UV-Vis and Luminescence Spectra Analyzed in Terms of Quantum Chemical DFT Approach
por: Zając, Adam, et al.
Publicado: (2021)

Experimental isolation and spectroscopic characterization of squamocin acetogenin combining FT-IR, FT-Raman and UV–Vis spectra with DFT calculations
por: Hidalgo, José Ruiz, et al.
Publicado: (2020)

HF-EPR, Raman, UV/VIS Light Spectroscopic, and DFT Studies of the Ribonucleotide Reductase R2 Tyrosyl Radical from Epstein-Barr Virus
por: Tomter, Ane B., et al.
Publicado: (2011)

Chitosan and Its Carboxymethyl-Based Membranes Produced by Crosslinking with Magnesium Phytate
por: Zając, Adam, et al.
Publicado: (2023)

Experimental IR, Raman, and UV-Vis Spectra DFT Structural and Conformational Studies: Bioactivity and Solvent Effect on Molecular Properties of Methyl-Eugenol
por: Yadav, Rohit Kumar, et al.
Publicado: (2023)

Vibrational Properties and DFT Calculations of Perovskite-Type Methylhydrazinium Manganese Hypophosphite
por: Ciupa-Litwa, Aneta, et al.
Publicado: (2020)

Crystal structure, vibrational and optic properties of 2-N-methylamino-3-methylpyridine N-oxide – Its X-ray and spectroscopic studies as well as DFT quantum chemical calculations
por: Bryndal, I., et al.
Publicado: (2019)

Spectroscopic Evidence of Thermal Changes in Plant Oils during Deep-Frying—Chemical and Infrared Studies
por: Dymińska, Lucyna, et al.
Publicado: (2022)

Spectroscopic (UV/VIS, Raman) and Electrophoresis Study of Cytosine-Guanine Oligonucleotide DNA Influenced by Magnetic Field
por: Banihashemian, Seyedeh Maryam, et al.
Publicado: (2016)

Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV–Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer)
por: Kumar, Mohit, et al.
Publicado: (2023)

Mesoionic tetrazolium-5-aminides: Synthesis, molecular and crystal structures, UV–vis spectra, and DFT calculations
por: Budevich, Vladislav A, et al.
Publicado: (2021)

Raman Spectroscopic Study of Five Typical Plasticizers Based on DFT and HF Theoretical Calculation
por: Sun, Tong, et al.
Publicado: (2023)

Using Cyclic Voltammetry, UV-Vis-NIR, and EPR Spectroelectrochemistry to Analyze Organic Compounds
por: Pluczyk, Sandra, et al.
Publicado: (2018)

Geographical Classification of Italian Saffron (Crocus sativus L.) by Multi-Block Treatments of UV-Vis and IR Spectroscopic Data
por: Biancolillo, Alessandra, et al.
Publicado: (2020)

Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis
por: Basri, Rabia, et al.
Publicado: (2020)

Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
por: Rahuman, M. Habib, et al.
Publicado: (2020)

Elucidating the Mechanism of Working SnO(2) Gas Sensors Using Combined Operando UV/Vis, Raman, and IR Spectroscopy
por: Elger, Ann‐Kathrin, et al.
Publicado: (2019)

The Structural and Optical Properties of 1,2,4-Triazolo[4,3-a]pyridine-3-amine
por: Dymińska, Lucyna, et al.
Publicado: (2022)

PES, molecular structure, spectroscopic (FT-IR, FT-Raman), electronic (UV-Vis, HOMO-LUMO), quantum chemical and biological (docking) studies on a potent membrane permeable inhibitor: dibenzoxepine derivative
por: Sevvanthi, S., et al.
Publicado: (2020)

Experimental and theoretical spectroscopic (FT-IR, FT-Raman, UV-VIS) analysis, natural bonding orbitals and molecular docking studies on 2-bromo-6-methoxynaphthalene: A potential anti-cancer drug
por: Saji, Rinnu Sara, et al.
Publicado: (2021)

Kinetic Study of the Oxidative Addition Reaction between Methyl Iodide and [Rh(imino-β-diketonato)(CO)(PPh)(3)] Complexes, Utilizing UV–Vis, IR Spectrophotometry, NMR Spectroscopy and DFT Calculations
por: Ferreira, Hendrik, et al.
Publicado: (2022)

Multivariate Analysis of Coupled Operando EPR/XANES/EXAFS/UV–Vis/ATR‐IR Spectroscopy: A New Dimension for Mechanistic Studies of Catalytic Gas‐Liquid Phase Reactions
por: Rabeah, Jabor, et al.
Publicado: (2020)

Application of Spectroscopic UV-Vis and FT-IR Screening Techniques Coupled with Multivariate Statistical Analysis for Red Wine Authentication: Varietal and Vintage Year Discrimination
por: Geană, Elisabeta-Irina, et al.
Publicado: (2019)

Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl(2)/TiCl(4) Nanoclusters Determined by Machine Learning and DFT
por: D’Amore, Maddalena, et al.
Publicado: (2022)

UV–Vis and ATR–FTIR spectroscopic investigations of postmortem interval based on the changes in rabbit plasma
por: Wang, Qi, et al.
Publicado: (2017)

DFT Modelling of Molecular Structure, Vibrational and UV-Vis Absorption Spectra of T-2 Toxin and 3-Deacetylcalonectrin
por: Pankin, Dmitrii, et al.
Publicado: (2022)

Raman, UV–Vis Absorption, and Fluorescence Spectroelectrochemistry for Studying the Enhancement of the Raman Scattering Using Nanocrystals Activated by Metal Cations
por: Hernandez, Sheila, et al.
Publicado: (2023)

Antioxidant Activity Level, Bioactive Compounds, Colour and Spectroscopic Analysis (UV-Vis and FT-IR) of Flavoured Drinks Made with Wine and Sour Cherries (Prunus cerasus Var. austera)
por: Pisani, Michela, et al.
Publicado: (2021)

UV–vis–IR Broad Spectral Photodetectors Based on VO(2)–ZnO Nanocrystal Films
por: Xu, Danting, et al.
Publicado: (2022)

Theory predicts UV/vis-to-IR photonic down conversion mediated by excited state vibrational polaritons
por: Terry Weatherly, Connor K., et al.
Publicado: (2023)

Methodological Survey of Simplified TD-DFT Methods for Fast and Accurate Interpretation of UV–Vis–NIR Spectra of Phthalocyanines
por: Martynov, Alexander G., et al.
Publicado: (2019)

Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy-phenyl)-3-oxo-propenyl]-benzonitrile by experimental and computational methods
por: Radder, Shivaraj B., et al.
Publicado: (2021)

Association of aescin with β- and γ-cyclodextrins studied by DFT calculations and spectroscopic methods
por: Ramos, Ana I, et al.
Publicado: (2017)

Comprehensive study on the degradation of ochratoxin A in water by spectroscopic techniques and DFT calculations
por: Cagnasso, Iris, et al.
Publicado: (2019)

Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
por: Swoboda, Daniel, et al.
Publicado: (2022)

Higher-Loop Calculations of UV to IR Evolution of Gauge Theories
por: Prof. Shrock, Robert
Publicado: (2014)

Ultrafast transient IR spectroscopy and DFT calculations of ruthenium(ii) polypyridyl complexes
por: Sun, Qinchao, et al.
Publicado: (2017)

Discrimination of Apple Liqueurs (Nalewka) Using a Voltammetric Electronic Tongue, UV-Vis and Raman Spectroscopy
por: Śliwińska, Magdalena, et al.
Publicado: (2016)

Near UV-Vis and NMR Spectroscopic Methods for Rapid Screening of Antioxidant Molecules in Extra-Virgin Olive Oil
por: Vicario, Giulia, et al.
Publicado: (2020)

Combined X-ray Crystallographic, IR/Raman Spectroscopic, and Periodic DFT Investigations of New Multicomponent Crystalline Forms of Anthelmintic Drugs: A Case Study of Carbendazim Maleate
por: Voronin, Alexander P., et al.
Publicado: (2020)

Cannot write session to /tmp/vufind_sessions/sess_t1o7ievs33nv63n73flefu4gpa