Classical and Quantum Molecular Dynamics in NMR Spectra

Authors: Szymanski, Slawomir, Bernatowicz, Piotr

  • Offers a complete description of the study of condensed-phase molecular dynamics using NMR spectroscopy, covering theoretical principles and practical application
  • Describes the theories of nuclear spin relaxation and NMR lineshapes in detail
  • Includes a section on the quantum theory of NMR lineshapes of hindered molecular rotors
see more benefits

Buy this book

eBook $109.00
price for Mexico (gross)
  • ISBN 978-3-319-90781-9
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $149.99
price for Mexico
  • ISBN 978-3-319-90780-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

The book provides a detailed account of how condensed-phase molecular dynamics are reflected in the line shapes of NMR spectra. The theories establishing connections between random, time-dependent molecular processes and lineshape effects are exposed in depth. Special emphasis is placed on the theoretical aspects, involving in particular intermolecular processes in solution, and molecular symmetry issues. The Liouville super-operator formalism is briefly introduced and used wherever it is beneficial for the transparency of presentation. The proposed formal descriptions of the discussed problems are sufficiently detailed to be implemented on a computer. Practical applications of the theory in solid- and liquid-phase studies are illustrated with appropriate experimental examples, exposing the potential of the lineshape method in elucidating molecular dynamics

NMR-observable molecular phenomena where quantization of the spatial nuclear degrees of freedom is crucial are addressed in the last part of the book. As an introduction to this exciting research field, selected aspects of the quantum mechanics of isolated systems undergoing rotational tunnelling are reviewed, together with some basic information about quantum systems interacting with their condensed environment. The quantum theory of rate processes evidenced in the NMR lineshapes of molecular rotors is presented, and illustrated with appropriate experimental examples from both solid- and liquid-phase spectra. In this context, the everlasting problem of the quantum-to-classical transition is discussed at a quantitative level. 

The book will be suitable for graduate students and new and practising researchers using NMR techniques.

About the authors

Slawomir Szymanski is Professor at the Institute of Organic Chemistry, Warsaw, Poland.  His research centres on NMR spectroscopy, namely molecular structure and dynamics in condensed phases studied by NMR spectroscopy methods, and quantum mechanical effects in the stochastic dynamics of hindered molecular rotators.  He is a recipient of the Award of the Mathematical, Physical and Chemical Sciences Division of the Polish Academy of Sciences.   

Piotr Bernatowicz is Head of the NMR Laboratory in the Institute of Physical Chemistry, Polish Academy of Sciences. 


Table of contents (9 chapters)

  • Introduction

    Szymanski, Slawomir (et al.)

    Pages 1-5

  • Principles of NMR Spectroscopy

    Szymanski, Slawomir (et al.)

    Pages 7-83

  • NMR Spectroscopy and Molecular Dynamics - An Outlook

    Szymanski, Slawomir (et al.)

    Pages 85-143

  • Nuclear Spin Relaxation Effects in NMR Spectra

    Szymanski, Slawomir (et al.)

    Pages 145-193

  • Discrete Molecular Dynamics and NMR Line Shape Effects. Intramolecular Exchange

    Szymanski, Slawomir (et al.)

    Pages 195-248

Buy this book

eBook $109.00
price for Mexico (gross)
  • ISBN 978-3-319-90781-9
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $149.99
price for Mexico
  • ISBN 978-3-319-90780-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Loading...

Recommended for you

Loading...

Bibliographic Information

Bibliographic Information
Book Title
Classical and Quantum Molecular Dynamics in NMR Spectra
Authors
Copyright
2018
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing AG, part of Springer Nature
eBook ISBN
978-3-319-90781-9
DOI
10.1007/978-3-319-90781-9
Hardcover ISBN
978-3-319-90780-2
Edition Number
1
Number of Pages
XI, 402
Number of Illustrations and Tables
61 b/w illustrations, 19 illustrations in colour
Topics