Cargando…

Two Cu(ii)-triadimenol complexes as potential fungicides: synergistic actions and DFT calculations

Two Cu(ii) complexes, namely, [CuL(4)(H(2)O)(2)]·2NO(3)·2CH(3)OH 1 and [CuL(2)(CH(3)COO)(2)] 2, (L = (1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol, triadimenol, a commercial 1,2,4-triazole pesticide) were synthesized and characterized by elemental analysis, IR spectra, UV...

Descripción completa

Detalles Bibliográficos
Autores principales:	Li, Jie, Liu, Huiyu, Guo, Zhaoqi, Yang, Mingyan, Song, Jirong, Ma, Haixia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9077557/ https://www.ncbi.nlm.nih.gov/pubmed/35541170 http://dx.doi.org/10.1039/c7ra10572j

Ejemplares similares

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

Co(ii), Ni(ii), Cu(ii) and Cd(ii)-thiocarbonohydrazone complexes: spectroscopic, DFT, thermal, and electrical conductivity studies
por: Fouad, R., et al.
Publicado: (2021)

Relative Populations and IR Spectra of Cu(38) Cluster at Finite Temperature Based on DFT and Statistical Thermodynamics Calculations
por: Buelna-García, Carlos Emiliano, et al.
Publicado: (2022)

DFT data to relate calculated LUMO energy with experimental reduction potentials of Cu(II)-β-diketonato complexes
por: Conradie, Marrigje M., et al.
Publicado: (2021)

Diastereomeric dinickel(ii) complexes with non-innocent bis(octaazamacrocyclic) ligands: isomerization, spectroelectrochemistry, DFT calculations and use in catalytic oxidation of cyclohexane
por: Dobrov, Anatolie, et al.
Publicado: (2022)

Cu(i)-catalysed 1,2,3-triazole stitched chalcomer assembly as Pb(ii) and Cu(ii) ion sensor: DFT and docking scrutiny
por: Singh, Riddima, et al.
Publicado: (2023)

Hydrothiolation of alkynes with thiol–catechol derivatives catalysed by CuNPs/TiO(2): exploring the reaction mechanism by DFT calculations
por: Capurso, Matías, et al.
Publicado: (2023)

Tetrahydropyrazolopyridines as antifriction and antiwear agents: experimental and DFT calculations
por: Kavita,, et al.
Publicado: (2020)

Probing calcium solvation by XAS, MD and DFT calculations
por: Yang, Feipeng, et al.
Publicado: (2020)

Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate
por: Ekennia, Anthony C., et al.
Publicado: (2015)

DFT calculations bring insight to internal alkyne-to-vinylidene transformations at rhodium PNP- and PONOP-pincer complexes
por: Rajabi, Nasir A., et al.
Publicado: (2021)

Microbiological and biochemical properties of soil polluted with a mixture of spiroxamine, tebuconazole, and triadimenol under the cultivation of Triticum aestivum L.
por: Baćmaga, Małgorzata, et al.
Publicado: (2019)

A simple Cu(II) complex of phenolic oxime: synthesis, crystal structure, supramolecular interactions, DFT calculation and catecholase activity study
por: Dolai, Malay, et al.
Publicado: (2020)

Synthesis, Characterization, Catalytic Activity, and DFT Calculations of Zn(II) Hydrazone Complexes
por: Adejumo, Temiloluwa T., et al.
Publicado: (2020)

Experimental and DFT studies of sulfadiazine ‘piano-stool’ Ru(ii) and Rh(iii) complexes
por: Mansour, Ahmed M., et al.
Publicado: (2020)

DFT calculation and NMR data of novel aryloxymaleimides and the intermediates and transition states in the reaction
por: Yan, Maocai, et al.
Publicado: (2019)

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

Argyrodite configuration determination for DFT and AIMD calculations using an integrated optimization strategy
por: Lee, Byung Do, et al.
Publicado: (2022)

Structure and spin state of nonheme Fe(IV)O complexes depending on temperature: predictive insights from DFT calculations and experiments
por: Lee, Na Young, et al.
Publicado: (2017)

DFT/TD-DFT study of electronic and phosphorescent properties in cycloplatinated complexes: implications for OLEDs
por: Moradpour, Batool, et al.
Publicado: (2022)

Chemoselectivity in Gold(I)-Catalyzed Propargyl Ester Reactions: Insights From DFT Calculations
por: Sun, Qing, et al.
Publicado: (2019)

An ab initio DFT perspective on experimentally synthesized CuBi(2)O(4)
por: Hossain, Quazi Shafayat, et al.
Publicado: (2023)

Understanding the role of Cu(+)/Cu(0) sites at Cu(2)O based catalysts in ethanol production from CO(2) electroreduction -A DFT study
por: Sun, Liren, et al.
Publicado: (2022)

Principles of Fungicidal Action
por: Haley, Lenore D.
Publicado: (1957)

Data characterizing the energetics of enzyme-catalyzed hydrolysis and transglycosylation reactions by DFT cluster model calculations
por: Jitonnom, Jitrayut
Publicado: (2018)

Data from X-ray crystallographic analysis and DFT calculations on isomeric azo disperse dyes
por: Lim, Jihye, et al.
Publicado: (2018)

(1)H/(13)C chemical shift calculations for biaryls: DFT approaches to geometry optimization
por: Nguyen, Thien T.
Publicado: (2021)

Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations
por: Tiwari, Surbhi, et al.
Publicado: (2021)

Synthesis and high-pressure studies of strontium diazenide by synchrotron X-ray diffraction and DFT calculations
por: Li, Yue, et al.
Publicado: (2020)

Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations
por: Yin, Xiuping, et al.
Publicado: (2023)

Layer-dependent excellent thermoelectric materials: from monolayer to trilayer tellurium based on DFT calculation
por: Zhang, Kexin, et al.
Publicado: (2023)

Inhibition of Fungal Plant Pathogens by Synergistic Action of Chito-Oligosaccharides and Commercially Available Fungicides
por: Rahman, Md. Hafizur, et al.
Publicado: (2014)

Evaluating the electronic structure of formal Ln(II) ions in Ln(II)(C(5)H(4)SiMe(3))(3) (1–) using XANES spectroscopy and DFT calculations
por: Fieser, Megan E., et al.
Publicado: (2017)

Synthesis of some new distyrylbenzene derivatives using immobilized Pd on an NHC-functionalized MIL-101(Cr) catalyst: photophysical property evaluation, DFT and TD-DFT calculations
por: Niknam, Esmaeil, et al.
Publicado: (2021)

Encapsulation of tricopper cluster in a synthetic cryptand enables facile redox processes from Cu(I)Cu(I)Cu(I) to Cu(II)Cu(II)Cu(II) states
por: Zhang, Weiyao, et al.
Publicado: (2020)

Cu-Doped KCl Unfolded Band Structure and Optical Properties Studied by DFT Calculations
por: Castillo-Quevedo, César, et al.
Publicado: (2020)

Multicolor Emissive Phosphorescent Iridium(III) Complexes Containing L-Alanine Ligands: Photophysical and Electrochemical Properties, DFT Calculations, and Selective Recognition of Cu(II) Ions
por: Chu, Xi, et al.
Publicado: (2022)

Key Mechanistic Features in Palladium-Catalyzed Methylcyclopropanation of Norbornenes With Vinyl Bromides: Insights From DFT Calculations
por: Ying, Fang, et al.
Publicado: (2019)

An insight into the intermolecular vibrational modes of dicationic ionic liquids through far-infrared spectroscopy and DFT calculations
por: Guglielmero, Luca, et al.
Publicado: (2019)

Exhaustive exploration of the conformational landscape of mono- and disubstituted five-membered rings by DFT and MP2 calculations
por: Stortz, Carlos A., et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_1jrc72qfpdnmqauu4lr431ei0m