By C. A. de Lange, E. E. Burnell (auth.), E. Elliott Burnell, Cornelis A. de Lange (eds.)
ISBN-10: 9048163056
ISBN-13: 9789048163052
ISBN-10: 9401702217
ISBN-13: 9789401702218
NMR of Ordered Liquids provides a special assessment of the scope and obstacles of the NMR of orientated beverages, according to contributions from stated specialists within the box. The e-book comprises 4 sections:
-detailed common creation which covers the fundamental ideas and complex experimental strategies;
-wide number of purposes starting from NMR stories of small atoms and molecules in anisotropic beverages to the usage of residual dipolar couplings for constitution decision of organic molecules;
-summary of the delicate theoretical remedies, desktop simulations, and phenomenological versions for anisotropic intermolecular interactions which are well-known within the research of experimental effects;
-overview of the dynamical elements and rest tactics proper for orientationally ordered molecules.
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NMR of Ordered beverages offers a distinct review of the scope and barriers of the NMR of orientated beverages, according to contributions from stated specialists within the box. The ebook includes 4 sections: -detailed normal advent which covers the elemental ideas and complicated experimental strategies; -wide number of functions starting from NMR experiences of small atoms and molecules in anisotropic beverages to the usage of residual dipolar couplings for constitution choice of organic molecules; -summary of the delicate theoretical remedies, computing device simulations, and phenomenological types for anisotropic intermolecular interactions which are favourite within the research of experimental effects; -overview of the dynamical facets and leisure procedures suitable for orientationally ordered molecules.
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Additional info for NMR of Ordered Liquids
Example text
42): '1J nQ 4. (2f. _ 1) 3 i,Z - i . 44) i" Transformation to molecule-fixed axes So far we have developed a description in laboratory-fixed axes X, Y, Z. This is a logical choice for the Zeeman term which depends on the magnetic field of the NMR spectrometer. However, the various molecular properties such as chemical shielding tensors, spin-spin interactions and quadrupolar interactions are more conveniently formulated in a molecule-fixed axes system x, y, z. This necessitates a transformation from laboratory-fixed to molecule-fixed axes for such molecular properties.
For example, if the molecule possesses axial symmetry, it is customary to choose the z-axis along the symmetry axis, leading to only one independent orientation tensor element Szz, with Szz Sxy = - 2Sxx = Sxz = Syx - 2Syy = O. 71) In the following table the independent elements of the S-tensor are given for every point group. 2. Independent non-zero elements of the Saupe order matrix for the various point groups Point group C1, Ci C 2 , C 2 h, C s C 2v , D2, D2h Cn, Cnh, Cnv (n = 3 - 6) Cooh, Dooh D2d D n , Dnd, Dnh (n = 3 - 5) D6, D6h S4, S6 Kh, 0, Oh, T, Td Szz, Sxx - Syy, Sxy, Sxz, Sy.
E. (w = wo), when Eq. 31) takes the especially simple form ilhot ay(t) az(t) = wdx. We now find that ay(O) cos wIt - az(O) sinwit az(O) cos wIt + ay(O) sinwit. 34) 35 Density matrix methods in NMR Again we have precession, this time of Z or Y magnetization about the "Hamiltonian" or X direction. We could have anticipated this result from examination of commutators. In order to keep the algebra simple we here assume, as is often the case for discussion of basics, that pulses are sufficiently short and strong that we can neglect precession due to terms other than those that describe the pulse in 'H rot .
NMR of Ordered Liquids by C. A. de Lange, E. E. Burnell (auth.), E. Elliott Burnell, Cornelis A. de Lange (eds.)
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