PHYSICAL PROPERTIES
 

APPLICATION FIELDS

Routine tool for structure elucidation in organic and organometallic chemistry
Also widely applied on Biomolecules: Proteins, nucleic acids, polysaccharides and others, usually isotopically labeled with ¹³C.

The accepted internal reference is tetramethylsilane in CDCl3 [(CH3)₄Si or TMS]. Also see IUPAC recommendations for reporting the NMR chemical shits of all nuclei relative to the ¹H resonance of TMS (02JMR323-156).

 Several useful NMR parameters can be extracted from ¹³C spectra:

• ¹³C chemical shifts
• Multiplicity in DEPT-like experiments
• Multiplet patterns and coupling constants

1D ¹³C spectrum
1D DEPT and INEPT experiments
2D ¹³C-¹H correlation experiments using ¹H or ¹³C detection. Examples are the HMQC(HSQC)/HMBC and HETCOR/COLOC experiments, respectively.
2D ¹³C-X correlation experiments ( 96ENC4839 ). For instance 2D ¹³C-³¹P correlation experiments using carbon ( 95MRC59 ) and phosphorus ( 89MRC599 , 92MRC587 ) detection.
2D ¹³C-¹³C INADEQUATE experiments.

See eNMR for a complete list of multidimensional NMR experiments involving the ¹³C nucleus.

NMR Methods ( 00ENC149 )

NMR Parameter Survey ( 00ENC159 )

Solid-State NMR ( 00ENC802 )