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2012 | Book

Mass Spectrometry Read chapter Read first chapter

Challenges in Molecular Structure Determination

Authors: Manfred Reichenbächer, Jürgen Popp

Publisher: Springer Berlin Heidelberg

Part of: Springer Professional "Wirtschaft+Technik" , Springer Professional "Technik"

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About this book

Taking a problem-based approach, the authors provide a practice-oriented and systematic introduction to both organic and inorganic structure determination by spectroscopic methods. This includes mass spectrometry, vibrational spectroscopies, UV/VIS spectroscopy and NMR as well as applying combinations of these methods. The authors show how to elucidate chemical structures with a minimal number of spectroscopic techniques. Readers can train their skills by more than 400 problems with varying degree of sophistication. Interactive Powerpoint-Charts are available as Extra Materials to support self-study.

Table of Contents

Frontmatter
Chapter 1. Mass Spectrometry
Abstract
The recognition of heteroatoms as well as the determination of the sum formula is the basis for the determination of the structure of an unknown compound. Mass spectroscopy is an important method to obtain this information.
Manfred Reichenbächer, Jürgen Popp
Chapter 2. Vibrational Spectroscopy
Abstract
The objective of the interpretation of vibrational spectra of small molecules and ions differs from that of organic molecules and can be mainly divided into three problems.
Manfred Reichenbächer, Jürgen Popp
Chapter 3. Electronic Absorption Spectroscopy
Abstract
According to quantum mechanics, the double bonds in conjugated systems are weakened. Conversely single bonds are stronger in the S1 state resulting in changed energy barriers for the rotation around the respective bond in the ground (S0) and first excited state (S1) of a conjugated system; see Fig. 3.21 for the structure moiety aryl–C=C–
Manfred Reichenbächer, Jürgen Popp
Chapter 4. Nuclear Magnetic Resonance Spectroscopy (NMR)
Abstract
In contrast to electron spectroscopy, there are very well-written introductions to NMR spectroscopy in the literature (for example, see Sect. 4.5). Therefore, we will only summarize the basic theory behind the technique. Note that we are performing experiments on the nuclei of atoms, not the electrons.
Manfred Reichenbächer, Jürgen Popp
Chapter 5. Molecular Structure Determination by Means of Combined Application of Methods
Manfred Reichenbächer, Jürgen Popp
Chapter 6. Tables
Manfred Reichenbächer, Jürgen Popp
Backmatter
Metadata
Title
Challenges in Molecular Structure Determination
Authors
Manfred Reichenbächer
Jürgen Popp
Copyright Year
2012
Publisher
Springer Berlin Heidelberg
Electronic ISBN
978-3-642-24390-5
Print ISBN
978-3-642-24389-9
DOI
https://doi.org/10.1007/978-3-642-24390-5