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Showing 1 to 20 of 34 for “"substituent effects"”.
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Substituent effects upon the reactions of ferrocene
Includes bibliographical references.
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Polar Substituent Effects in 1,3-Disubstituted Bicyclo(1.1.1.)pentanes
The effect of substituents on the acidities of 3-substituted bicyclo{1.1.1}pentane-1-carboxylic acids and the solvolytic reactivities of 3-Substituted 1-(2'-hydroxy-2'-propyl)bicyclo{1.1.1}pentane p-nitrobenzoates have been investigated to provide insight into the chemical consequence of poten
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Substituent Effects on the Ring Expansion Reactions of Aziridinium Salts
Made available in DSpace on 2014-12-10T23:01:11Z (GMT). No. of bitstreams: 1 7121150.pdf: 4026389 bytes, checksum: ac9485c7768e8cdc8ba2d999cb6616e7 (MD5) Previous issue date: 1971
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Substituent Effects: A Computational Study on Stabilities of Cumulenes and Low Barrier Hydrogen Bonds
The effect of substituents on the stabilities of cumulenes-ketenes, allenes, diazomethanes and isocyanates and related systems-alkynes, nitriles and nitrile oxides is studied using the density functional theory (B3LYP, SVWN and BP86) and ab initio (HF, MP2) calculations at the 6-31G* basis set …
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Mass spectrometry of substituted benzils
… of the substituted benzoyl ions exhibit substituent effects correlatable with the Hammett σ, but no substituent effect is demonstrated for the unsubstituted benzoyl. Loss of CO by the benzoyl ion does not appear to involve substituent effects but required 2.5-4.0 eV excess energy above …
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Synthesis, Properties, and Reactivity of Pentafluorophenyl Substituted Cyclopentadienes and Their Transition Metal Complexes
Substituent effects in eta5-cyclopentadienyl (Cp) transition metal complexes have been intensely studied since the discovery of the first such complex, ferrocene. Modifications of the Cp ligand framework effect changes in the physical properties and chemical reactivity of the coordinated transition …
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Expanding Deoxygenative Transformations of Alcohols by Phosphorus Compounds Through Geometric Deformation
… is illustrated. In Chapter 2, proximal substituent effects on P–H thermochemical parameters (pKₐ, bond dissociation energy, and thermodynamic hydricity) are described. Specifically, it is shown that hydridophosphoranes derived from O–H oxidative addition to a nontrigonal σ³-P compound …
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Multiferroic Bismuth Ferrite-Lead Titanate and Iron-Gallium Crystalline Solutions: Structure-Property Investigations
… ferroelectric, ferroelastic and ferromagnetic effects-have attracted enormous research activities. In this thesis, the structure and properties of multiferrioic BiFeO3-x%PbTiO3 and Fe-x%Ga crystalline solutions were investigated. First, the results show that modified BiFeO3-PbTiO3 based …
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Germanium derivatives of cobalt carbonyl
… + 3NaCo(CO)₄ However, this system is subject to substituent effects. Preliminary studies on the Germanium derivatives of Rhenium and Vanadium carbonyls are also reported.
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Electrochemistry and photochemistry of sulphonium salts
… with a 2-electron reduction, but analysis of the substituent effects supports a le + le continuous two step process. The macroscopic reductions are also in accord with the latter mechanism. The hydrocarbon/organomercury product ratios indicate that the radical giving rise to the products is …
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A kinetic and photochemical study of some basic dyes
… group and the bridging unit together with the effects of substituents on the electronic absorption spectra of the dyes have been examined. The rates of hydrolysis of the dyes at various hydroxide ion concentrations and tanperatures have been determined. The bridged tripherylmethane dyes shcx.z …
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A valence bond for several perturbations
… of one or more carbon atoms or introducing substituents. Such spectral perturbations may be correlated with inductive and mesomeric heteroatom or substituent effects. Preliminary studies involve a comparison of semi-empirical valence bond and molecular orbital methods using similar …
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Der EPR-spektroskopisch ermittelte D-Parameter von Cyclopentan-1,3-diyl-Triplettdiradikalen als Sonde zur Bestimmung von elektronischen Effekten in Propargyl- und Heteropropargylradikalen und geminal substituierten Donor/Donor- und Akzeptor/Donor-Allylradikalen
… Einflüsse, welche geminal gebundenen Substituenten auf die Spinverteilung in Allylradikalen verursachen bestimmt. Die Spindichte wurde mit Hilfe des D-Parameters von lokalisierten 1,3-Cyclopentandiyitriplettdiradikalen experimentell bestimmt (EPR-Spektroskopie).
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The acetanilide crystal structures: packing and conformational similarities
… persistent in all the acylanilides. The amide substituent had a larger effect on the chain geometry than the phenyl substituent. In the crystal the molecular structures deviate from the expected planar conformation. Rotation about the amide to phenyl bond of up to 55 degrees in ortho-tertbutyl …
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Rearrangements of Radical Anions Generated from Cyclopropyl Ketones
… were found to be important factors pertaining to substituent effects on the rates of radical anion rearrangements. Previous studies from our lab have centered on highly conjugated phenyl cyclopropyl ketones. This work considers a series of compounds varying in their conjugative components from a …
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