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Molecular Structure Determination by Means of Combined Application of Methods

  • Manfred Reichenbächer
  • Jürgen Popp
Chapter

Overview of Determination of Heteroatoms

Nitrogen

Method

Information

MS

• N rule

• N-specific fragment ions and fragment loss peaks

⇒ Mass correlation ( Tables 6.3 and  Tables 6.4)

IR

Characteristic vibrations

 Table 6.15

νas + νs(NH2), δ(NH2)

1° Amine or amide

ν(NH)

2° Amine or amide

νas + νs(NO2)

Nitro compounds

ν(N=O)

Nitroso compounds

ν(N≡C)

Nitriles (frequently very weak)

UV–VIS

N containing base chromophore

N-heterocyclic compounds

Polymethine compounds

Azo compounds

1H NMR

• Exchangeable protons with D2O

 

• Signals in the deep field (δ > 8 ppm)

Ar–NO2; pyridine compounds

• Signals in the range δ < 7 ppm)

Ar–NH2

Keywords

Cross Peak HSQC Spectrum HMBC Spectrum Cosy Spectrum Quaternary Carbon Atom 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Further Reading

  1. 1.
    Pretsch E, Tóth G, Munk ME, Bardertscher M (2002) Computer-aided structure elucidation. Wiley, WeinheimGoogle Scholar
  2. 2.
    Ningh Y-C (2005) Structural identification of organic compounds with spectroscopic techniques. Wiley, WeinheimGoogle Scholar
  3. 3.
    Silverstein RM, Webster FX, Kiemle D (2005) Spectrometric identification of organic compounds. Wiley, New YorkGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 2012

Authors and Affiliations

  • Manfred Reichenbächer
    • 1
  • Jürgen Popp
    • 2
    • 3
  1. 1.Institute of Inorganic and Analytical ChemistryFriedrich-Schiller University JenaJenaGermany
  2. 2.Institute of Physical ChemistryFriedrich-Schiller University JenaJenaGermany
  3. 3.Institute of Photonic TechnologyJenaGermany

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