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Showing 1 to 14 of 14 for “"Dynamic NMR"”.
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Applications of High Pressure Dynamic NMR
… in solution have been studied using $\sp $F FT-NMR spectroscopy. The pressure dependence of the isomerization of 1,1-difluorcyclohexane in acetone-d$\sb6$, n-pentane and methylcyclohexane compared to the pressure dependence of the isomerization of cyclohexane in the same solvents indicates that …
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Dynamic Nmr Studies of Some Metal Carbonyl Cluster Complexes
Made available in DSpace on 2014-12-13T20:10:18Z (GMT). No. of bitstreams: 1 7804128.pdf: 3045101 bytes, checksum: f17512f184bf7e68f2a12ff2adcc10bd (MD5) Previous issue date: 1977
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Nuclear Magnetic Resonance Under Extreme Conditions: High-Pressure NMR Probe Development, and NMR Applications to the Dynamics of Confined Liquids
Dynamic NMR studies at ambient pressure were also perfonned on the polar fluids ethanol, 2,2,2-trifluoroethanol, propionic acid, and pentafluoropropionic acid confined to porous silica glasses with well-defined pore sizes. The $\sp{13}$C NMR spin-lattice relaxation times were measured and analyzed …
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Conformation and Stereodynamic of Hindered Aromatic System
… hindered molecules and their study by DNMR and computational methods are my thesis’s core. In the first chapter, the conformations and the stereodynamics of symmetrically ortho-disubstituted aryl carbinols and aryl ethers are described. In the second chapter, the structures of axially …
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Mechanistic Studies of Bimolecular Electron Transfer Self-Exchange Rates of Ruthenium Ammine Pyridyl Complexes Measured by NMR Line Broadening Techniques
… substituted pyridyl ligand) were investigated by dynamic NMR measurements. Significant rate enhancement was observed for the cases of L = 3-phenylpyridine and 4-phenylpridine due to possible π-π stacking between Phpy ligands. These observations matche well with recent stopped-flow work by Mehmood …
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Unusual Electron Transfer Rate Effects due to Pyridyl Ring Substituents and Trace Group VIII b Hexacyano Complexes as Added Salts
… temperature dependent studies (stopped-flow and dynamic NMR measurements) indicate that the origin of the phenyl substituent effect is in the enthalpic portion of the free-energy of activation. One explanation is that the reorganizational barrier λ might be significantly lower for the 3-Phpy and …
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Primary photoprocesses of light-activated antiviral and antitumor agents, hypericin and hypocrellin
… conformational change. Temperature-dependant 1H-NMR and 2D ROESY studies of hypericin and hypocrellins provide strong evidence that there is only one conformational isomer/tautomer for hypericin in the ground state. On the other hand, web found three significantly populated ground-state species …
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Probing diffusion and molecular dynamics to study self-assembly and intermolecular interactions in macromolecular and colloidal systems using NMR diffusometry and spectroscopy
… of advanced nuclear magnetic resonance (NMR) techniques to probe the molecular dynamics and diffusion behavior in complex macromolecular and colloidal systems. Two key NMR techniques – NMR diffusometry and dynamic NMR spectroscopy – are employed to probe the motion and exchange process of …
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Synthetic Applications Of The Photochemical Cycloaddition Reactions Of N-acylindoles And Conformational Studies Of The Cycloadducts
… indole dimers are not isolable species.;A dynamic nmr study revealed that the N-acylindoles and their cycloadducts with cyclopentene exist as two slowly interconverting conformers in solution and that the photodimers exist as three slowly interconverting conformers. These conformers arise …
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Probing Morphology, Transport and Local Intermolecular Interactions in Polymeric Materials via NMR Diffusometry and Spectroscopy
… and develop new models correlating the dynamics and structure of polymeric materials, to the transport of small molecules within them, using a variety of Nuclear Magnetic Resonance (NMR) techniques. We present three studies through which we utilize two chemically similar membranes: …
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Experimental and Computational Studies in Bioorganic and Synthetic Organic Chemistry
… theme in asymmetric synthesis in which the dynamic chirality of the reactive intermediate "memorizes" the static chirality of the reactant. Using dynamic 1D and 2D NMR and density functional theory (DFT) methods, we studied the MOC effect of 1,4-benzodiazepin-2-ones. Reconstruction of the …
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Modelling in chimica computazionale: ottimizzazione di codici MD ed applicazioni allo studio di sistemi ad elevata carica
M.DynaMix is a modular general purpose Molecular Dynamics code for simulations of arbitrary mixtures of either rigid or flexible molecules. For its features and capabilities, M.DynaMix is diffused in a large simulation community and it is worth to keep it efficient and updated. With this goal in …