Global ETD Search
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Showing 1 to 9 of 9 for “"agostic"”.
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Control of regioselectivity:oxidation and deprotection
… used to suggest a side-on complex of either an agostic or 4-type. Kinetic studies show no evidence of an agostic interaction, and thus an 4-complex is more likely. Attempts at achieving catalytic activity in the formation of aldehydes are unsuccessful with small-molecule reoxidants. However, the …
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Molecular and spin dynamics in solid state nuclear magnetic resonance spectroscopy
… and Magic Angle Spinning (MAS) is examined. Agostic interactions had been hypothesized to exist in both compounds, but the unusual molecular dynamics are explainable without invoking a relation to such interactions. Further, no evidence is found to support the existence agostic bonds from …
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Quantum mechanical analysis of donor-acceptor interactions in organometallic complexes and comparative analysis of class size and teacher experience on student satisfaction and learning
… B3LYP, and PBE0 methods to analyze a possible agostic interaction in the that compound Ti2Cl6[N(t-Bu)2]2. The crystal structure of Ti2Cl6[N(tBu)2]2shows a very close contact (2.634 Angstroms) between the electron poor titanium atom and a methyl group. Short distances between an electron …
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C-H activation: oxidative addition to an iridium(I) center and reactivity of the resulting iridium(III) species
… of the alkyne with one t-butyl group forming an agostic interaction with iridium. Deuterium labeling experiments revealed the mechanism to involve: initial acetylene coordination after the chloride ligand was removed by TI⁺ followed by a hydride migration forming a vinyl complex and allowing a …
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N-Ligand Stabilized Lanthanide Complexes
… complexes show interesting intermolecular agostic interactions. Such agostic interactions do not persist if salt metathesis reactions are carried out in THF, since coordination of THF blocks the vacant site responsible for such interactions. A further increase in the steric bulk of the …
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Fluorinated boranes in dehydrocoupling and hydroboration
… group 4 metallocene amidoboranes display a β-B-agostic interaction. This structural feature is proposed to play a significant role in catalytic dehydrocoupling of amine boranes by early transition metal catalysts. Chapter 4 describes the preparation of novel pentafluorophenyl substituted …
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Computational Studies of Selected Ruthenium Catalysis Reactions.
… [(PCP)Ru(CO)]+ in preference to the formation of agostic Ru-H-C interactions. Reactions of [(PCP)Ru(CO)(1-ClCH2Cl)][BAr'4] with N2CHPh or phenylacetylene yielded conversions that are exothermic to both terminal carbenes and vinylidenes, respectively, and then bridging isomers of these by C-C bond …
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Synthesis, characterization and chemical vapor deposition of transition metal di(tert-butyl)amido compounds
… comparisons suggest this interaction is not agostic in nature, but rather is a consequence of interligand repulsions. Treatment of NiI₂(PPh3)₂ and PdCl₂(PPh₃)₂ with LiN(t-Bu)₂in benzene affords Ni[N(t-Bu)₂](PPh₃)I and Pd₃(μ₂-NBut₂)2(μ₂-PPh₂)Ph(PPh₃) respectively. The compound …
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CCC pincer iron complexes: synthesis, reactivity and parahydrogen induced polarization
Submission published under a 24 month embargo labeled 'U of I Access', the embargo will last until 2025-08-01