Solid-state NMR spectroscopy principles

M. J. Duer, Solid State NMR Spectroscopy, Principles and Applications. University of Cambridge, Cambridge, Blackwell Publishing, 2002. 

Duer MJ (2002) In Duer MJ (ed) Solid-state NMR spectroscopy principles and applications. Wiley-Blackwell, Oxford, p 239... 

R.K. Harris, Nuclear Magnetic Resonance Spectroscopy Chapter 6, Longmans, 1997 C.A. Fyfe, Solid State NMR for Chemists, C.F.C. Press, 1983 M.J. Duer, Introduction to Solid-State NMR Spectroscopy, Black-well Science, London, 2004 M.J. Duer, Solid-State NMR Spectroscopy Principles and Applications, Blackwell Science, London, 2002. 

Duer M (2002) Introduction to Solid-State NMR Spectroscopy Principles and Ap-plicatons, Blackwell Science, UK... 

Duer, M. J. The Basics of Solid-state NMR. In Solid-state NMR Spectroscopy Principles and Applications Duer, M. J., Ed. Blackwell Oxford, 2002 Chapter 1, pp 3-72. 

Solid-State NMR Spectroscopy Principles and Appliea-tions Duer, M.J.. Ed. Blackwell Science Oxford. 2002. 

M. J. Duer, in Solid State NMR Spectroscopy principles and applications , Blackwell Science, Oxford, 2002. 

Duer MJ. The basics of solid-state NMR. In Duer MJ, editor. Solid-state NMR spectroscopy. Principles and applications. Oxford Blackwell Science Ltd. 2002. p 3-72. 

H. Saito, I. Ando and A. Naito, Solid State NMR Spectroscopy for Biopolymers, Principles and Application. Springer, Dordrecht, 2006. 

Overall, the contributors to this volume have provided first-hand accounts of various important research topics in solid-state NMR. Being the editor, I feel very privileged to work with my very distinguished colleagues, who have been at the frontier of their fields for many years. Thanks to their painstaking efforts I am very much convinced that this volume will be a useful reference for researchers and students who are interested in the principles and applications of solid-state NMR spectroscopy. 

P. J. Pallister, I. L. Moudrakovski and J. A. Ripmeester, Mg-25 ultra-high field solid state NMR spectroscopy and first principles calculations of magnesium compounds. Phys. Chem. Chem. Phys., 2009,11,11487-11500. 

This review starts with an introduction to the principles and techniques of solid-state NMR spectroscopy and the description of the most important experimental approaches for NMR investigations of solid catalysts in the working state (Sections II and III). Section IV is a summary of experimental approaches to the characterization of transition states of acid-catalyzed reactions under batch reaction conditions. 

Although NMR spectroscopy was used by scientists at the Massachusetts Institute of Technology to study solids more than 50 years ago [52], it took several decades until experimental techniques and advances in instrumentation afforded methods for routine acquisition of spectra from solid samples. In the ensuing years, a wealth of information has been written about solid-state NMR spectroscopy. General information about the fundamental and physical principles of solid-state NMR [106], applications for chemists [53], and reviews on pharmaceutical applications [54, 55] are readily available and for this reason only the very basics will be discussed here. 

The basic principles of solid state NMR spectroscopy can be most easily understood by discussing the relevant NMR interactions. In contrast to most other types of spectroscopy NMR has the unique feature, that the full quantum mechanical interaction Hamilton operators (Hamiltonians) of the spin system are usually known. As usual all energies are measured in units of the angular velocity (rad/sec), i.e. all energies are divided by ti. 

Cuny et al. have presented results of first-principles calculations of quadrupolar parameters measured by solid-state NMR spectroscopy. Different computational methods based on density functional theory were used to calculate the quadrupolar parameters. Through a series of illustrations from different areas of solid state inorganic chemistry, it is shown how quadrupolar solid-state NMR properties can be tackled by a theoretical approach and can yield structural information. 

A. Pedone, T. Charpentier, M.C. Menziani, The structure of fluoride-containing bioactive glasses new insights from first-principles calculations and solid state NMR spectroscopy. J. Mater. Chem. 22,12599-12608 (2012)... 

E. Gambuzzi, A. Pedone, M.C. Menziani, F. Angeli, D. Caurant, T. Charpentier, Probing silicon and aluminium chemical environments in silicate and aluminosilicate glasses by solid state NMR spectroscopy and accurate first-principles calculations. Geochim. Cosmochim. Acta 125, 170-185 (2014)... 

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