Che 440 540 2d nmr
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Che 440/540 2D-NMR. http://www.ch.ic.ac.uk/ectoc/echet96/papers/107/index.htm. Prototype Pulse Sequence for a 2D-NMR Experiment. 90 o pulse. 90 o pulse. Acquire ( t 2 seconds).  t 1 (microseconds). Relaxation delay. Origin of the Second Dimension. Stacked plot of 22

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Che 440/540 2D-NMR

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Che 440/540 2D-NMR

http://www.ch.ic.ac.uk/ectoc/echet96/papers/107/index.htm


Prototype Pulse Sequence for a 2D-NMR Experiment

90o pulse

90o pulse

Acquire

(t2 seconds)

t1

(microseconds)

Relaxation

delay


Origin of the Second Dimension

Stacked plot of 22

spectra of acetone

Resulting interferogram

Projection of (a)


Fourier transform of a series of interferograms creates the second dimension.


A Simulated 1H-1H Correlated Spectroscopy (COSY) Spectrum


Actual COSY Spectrum of Isobutanol

A

B

A, B

C

B,C


COSY Spectrum of Ipsenol


Basics of HETCOR and HMQC

  • Heteronuclear correlated (HETCOR) and heteronuclear multiple quantum coherence (HMQC) spectroscopy show direct correlations between hydrogens and their directly bonded carbons.

  • In HETCOR the signal is detected by observing 13C, and in HMQC by observing 1H. The HMQC experiment is shorter, but the pulse sequence is more complicated.

  • Both give the same information: one-bond 1H-13C correlations


A simulated HMQC spectrum

1H chemical

shifts

13C chemical

shifts

no correlation


HMQC Spectrum of Ipsenol

diastereotopic CH2’s


COSY Spectrum of Strychnine


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