Hydrolysis of [NbCp'Cl(4)] (Cp' = η(5)-C(5)H(4)SiMe(3)) with the water adduct H(2)O·B(C(6)F(5))(3) afforded the oxo-borane compound [NbCp'Cl(2){O·B(C(6)F(5))(3)}] (2a). This compound reacted with [MgBz(2)(THF)(2)] giving [NbCp'Bz(2){O·B(C(6)F(5))(3)}] (2b), whereas [NbCp'Me(2){O·B(C(6)F(5))(3)}] (2c) was obtained from the reaction of [NbCp'Me(4)] with H(2)O·B(C(6)F(5))(3). Addition of Al(C(6)F(5))(3) to solutions containing the oxo-borane compounds [MCp(R)X(2){O·B(C(6)F(5))(3)}] (M = Ta, Cp(R) = η(5)-C(5)Me(5) (Cp*), X = Cl 1a, Bz 1b, Me 1c; M = Nb, Cp(R) = Cp', X = Cl 2a) afforded the oxo-alane complexes [MCp(R)X(2){O·Al(C(6)F(5))(3)}] (M = Ta, Cp(R) = Cp*, X = Cl 3a, Bz 3b, Me 3c; M = Nb, Cp(R) = Cp', X = Cl 4a), releasing B(C(6)F(5))(3). Compound 3a was also obtained by addition of Al(C(6)F(5))(3) to the dinuclear μ-oxo compound [TaCp*Cl(2)(μ-O)](2), meanwhile addition of the water adduct H(2)O·Al(C(6)F(5))(3) to [TaCp*Me(4)] gave complex 3c. The structure of 2a and 3a was obtained by X-ray diffraction studies. Density functional theory (DFT) calculations were carried out to further understand these types of oxo compounds.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/ic1016609 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Anticancer diiron aminocarbyne complexes with labile N-donor ligands.
Eur J Med Chem
January 2025
University of Pisa, Department of Chemistry and Industrial Chemistry, Via G. Moruzzi 13, I-56124, Pisa, Italy. Electronic address:
The novel diiron amine complexes [FeCp(CO)(NHR')(μ-CO){μ-CN(Me)(Cy)}]CFSO [R' = H, 3; Cy, 4; CHCHNH, 5; CHCHNMe, 6; CHCH(4-CHOMe), 7; CHCH(4-CHOH), 8; Cp = η-CH, Cy = CH = cyclohexyl] were synthesized in 49-92 % yields from [FeCp(CO)(μ-CO){μ-CN(Me)(Cy)}]CFSO, 1a, using a straightforward two-step procedure. They were characterized by IR and multinuclear NMR spectroscopy, and the structure of 7 was confirmed through X-ray diffraction analysis. Complexes 3-8 and the acetonitrile adducts [FeCp(CO)(NCMe)(μ-CO){μ-CN(Me)(R)}]CFSO (R = Cy, 2a; Me, 2b; Xyl = 2,6-CHMe, 2c) were assessed for their water solubility, octanol-water partition coefficient and stability in physiological-like solutions.
View Article and Find Full Text PDFBlood Trihalomethanes and Human Cancer: A Systematic Review and Meta-Analysis.
Toxics
January 2025
School of Public Health, MOE Key Laboratory of Geriatric Diseases and Immunology Suzhou Medical College, Soochow University, Suzhou 215123, China.
The control of waterborne diseases through water disinfection is a significant advancement in public health. However, the disinfection process generates disinfection by-products (DBPs), including trihalomethanes (THMs), which are considered to influence the occurrence of cancer. This analysis aims to quantitatively evaluate the relationship between blood concentrations of THMs and cancer.
View Article and Find Full Text PDFHaloacetonitriles Induce Structure-Related Cellular Toxicity Through Distinct Proteome Thiol Reaction Mechanisms.
ACS Environ Au
January 2025
Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6, Canada.
Haloacetonitriles (HANs) are a class of toxic drinking water disinfection byproducts (DBPs). However, the toxicity mechanisms of HANs remain unclear. We herein investigated the structure-related in vitro toxicity of 6 representative HANs by utilizing complementary bioanalytical approaches.
View Article and Find Full Text PDFComputational Study of the 1,3-Dipolar Cycloaddition between Criegee Intermediates and Linalool: Atmospheric Implications.
J Phys Chem A
January 2025
Centro de Bioinformática, Simulación y Modelado (CBSM), Departamento de Bioinformática, Facultad de Ingeniería, Universidad de Talca, Talca 3465548, Chile.
In this research, we investigated the essential role of biogenic volatile organic compound emissions in regulating tropospheric ozone levels, atmospheric chemistry, and climate dynamics. We explored linalool ozonolysis and secondary organic aerosol formation mechanisms, providing key insights into atmospheric processes. Computational techniques, such as density functional theory calculations and molecular dynamics simulations, were employed for the analysis.
View Article and Find Full Text PDFNucleophilic and Electrophilic Molybdenum Terminal Oxo Complexes by Coordination-Induced Bond Weakening of Hydroxo O-H Bonds.
Inorg Chem
January 2025
Department of Chemistry, University of Calgary, 2500 University Dr. NW, T2N 1N4 Calgary, AB Canada.
The extent of coordination-induced bond weakening in aquo and hydroxo ligands bonded to a molybdenum(III) center complexed by a dianionic, pentadentate ligand system was probed by reacting the known complex (BPzPy)Mo(III)-NTf, , with degassed water or dry lithium hydroxide. The aquo adduct was not observed, but two LiNTf-stabilized hydroxo complexes were fully characterized. Computational and experimental work showed that the O-H bond in these complexes was significantly weakened (to ≈57 kcal mol), such that these compounds could be used to form the diamagnetic, neutral terminal molybdenum oxo complex (BPzPy)Mo(IV)O, , by hydrogen atom abstraction using the aryl oxyl reagent ArO• (Ar = 2,4,6-tri--butylphenyl).
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!