Download or read book A Solid State Deuterium Nuclear Magnetic Resonance Study of Molecular Motion in Urea N alkane Inclusion Compounds written by Gina M. Cannarozzi and published by . This book was released on 1995 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solid State NMR Studies of the Guest Molecules in Urea Inclusion Compounds written by Xiaorong Yang and published by . This book was released on 2007 with total page 189 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis work deals with the investigation of the structural and dynamic properties of various guest species in urea inclusion compounds. Urea inclusion compounds are widely used in chemical analyses and syntheses. Studies of the molecular properties of the guest and host components are therefore of intrinsic scientific interest. Solid-state NMR spectroscopy is particularly suitable for the evaluation of the guest dynamics as well as the structural properties in such materials.The molecular behavior (dynamics, molecular order) of ?, ?-dibromoalkanes/urea inclusion compounds (CnH2nBr2, n = 6, 10, 11) with different selectively deuterated guest components was studied via solid-state 2H NMR spectroscopy, comprising variable-temperature line shape studies, spin-lattice and spin-spin relaxation experiments. In addition, the conformational properties were probed by high resolution solid-state 13C and 1H NMR experiments. For the long-chain guest systems (n = 10, 11), the guest dynamics at best can be described by the presence of overall reorientations around the channel axis (modeled by a non-degenerate jump motion) along with chain fluctuations. For the dibromohexane/urea inclusion compound, the guest species exclusively exist in distinct gauche conformations, which undergo exchange with rate constants that match the NMR time-scale. For comparison, the molecular properties of 1-bromodecane in urea have been studied as well. Both the molecular order and dynamics can be described in quite the same way as found for 1, 10-dibromodecane or 1, 11-dibromo- undecane in urea.Furthermore, this work reports on 1H and 13C CP/MAS NMR studies on urea inclusion compounds with various types of guest species (n-alkanes, alkane derivatives of different chain lengths). These studies include high-speed MAS experiments as well as T1? and T1 relaxation experiments. High resolution 1H and 13C spectra manifest that the guests in urea channels are of high mobility. From the T1? data, the motion of the guest on the microsecond time scale might be explained by chain fluctuations and lateral motion and the interaction between the guest and host is confirmed.
Download or read book A Solid State Deuterium Nuclear Magnetic Resonance Study of Molecular Motion in Lithium Hydrazinium d5 Sulfate Li ND2ND 3 SO24 written by Ghirmai H. Meresi and published by . This book was released on 1994 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Deuterium Nuclear Magnetic Resonance Studies and Motional Modeling of the Molecular Reorientation of Flourene d10 in Merck Licristal Phase 5 written by Shouqin Huo and published by . This book was released on 1993 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Encyclopedia of Supramolecular Chemistry written by J. L. Atwood and published by CRC Press. This book was released on 2004 with total page 1002 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers the fundamentals of supramolecular chemistry; supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics.
Download or read book A Deuterium Nuclear Magnetic Resonance Study of Molecular Motion in a Nematoid Analog of N p methoxybenzylidene p n butylaniline written by David A. Ikenberry and published by . This book was released on 1989 with total page 348 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Encyclopedia of Supramolecular Chemistry Two Volume Set Print written by Jerry L. Atwood and published by CRC Press. This book was released on 2013-10-09 with total page 1745 pages. Available in PDF, EPUB and Kindle. Book excerpt: The two-volume Encyclopedia of Supramolecular Chemistry offers authoritative, centralized information on a rapidly expanding interdisciplinary field. User-friendly and high-quality articles parse the latest supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics. Designed for specialists and students alike, the set covers the fundamentals of supramolecular chemistry and sets the standard for relevant future research.
Download or read book Motion in the Solid State Studied by NMR and Extended Time Scale MD Simulation written by Andrew John Ilott and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The ability to characterise dynamic processes in the solid state is crucial to our understanding of many important materials. Nuclear magnetic resonance (NMR) and molecular dynamics (MD) simulations are two, highly complementary techniques that can be used in this pursuit, with NMR providing robust measurements of kinetic parameters across a large range of time-scales while MD can give insight into the form that the motion takes. The aim of the work presented in this thesis has been to demonstrate the extent of this complementarity by combining both techniques to investigate interesting systems, and also to expand upon it by implementing extended time scale MD methods that allow slower dynamic processes to be accurately simulated. Atomistic simulations of a urea inclusion compound and of octafluoronaphthalene (OFN), a molecular solid, illustrate the dynamic range and complicated nature of motions that can be present in solid phases of matter, and the inherent difficulty of modeling them without explicit knowledge of their form. Whilst the MD simulation can provide this information, there are computational limits to the range of time-scales it can conventionally access. The OFN system provides an example of this limit, as slow molecular motions observed by NMR experiments are shown to be inaccessible to long, ambient temperature simulations. To combat this deficiency, the metadynamics extended time scale technique has been implemented, allowing rare dynamic events to be observed in very short simulations, and the effects of complex correlated motions to be explored.
Download or read book Deuterium NMR Study of the Motion of Benzene in a Solid State Cyclamer written by Jong H. Ok and published by . This book was released on 1989 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solid State Deuterium Nuclear Magnetic Resonance Studies on Organometallic Intercalation Compounds written by Susan J. Mason and published by . This book was released on 1993 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Faculties Publications and Doctoral Theses in Chemistry and Chemical Engineering at United States Universities written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1991 with total page 1646 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Dissertation Abstracts International written by and published by . This book was released on 1995 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Nuclear Magnetic Resonance Studies of Molecular Motion in Urea hydrocarbon Adducts written by Kimiko Takahashi and published by . This book was released on 1963 with total page 126 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Deuterium NMR Spectroscopy of Solid State Electronically Labile Complexes written by Sheri A. Hunt and published by . This book was released on 1997 with total page 460 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Deuterium Magnetic Resonance written by Henry H. Mantsch and published by . This book was released on 1976 with total page 246 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Deuteron Nuclear Magnetic Resonance Studies of Molecular Motion in Solids written by Tak Yan Tse and published by . This book was released on 1994 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Deuterium Nuclear Magnetic Resonance Studies and Motional Modeling of the Molecular Reorientation of Flourene d10 in Merck Licristal Phase 5 written by and published by . This book was released on 1993 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt:
