A two-dimensional NMR experiment involves a series of one-dimensional experiments. Each experiment consists of a sequence of radio frequency pulses with delay periods in between them. It is the timing, frequencies, and intensities of these pulses that distinguish different NMR experiments from one another. During some of the delays, the nuclear spins are allowed to freely precess (rotate) for a determined length of time known as the evolution time. The frequencies of the nuclei are detected after the final pulse. By incrementing the evolution time in successive experiments, a two-dimensional data set is generated from a series of one-dimensional experiments.[2]
An example of a two-dimension NMR experiment is the homonuclear correlation spectroscopy (COSY) sequence, which consists of a pulse (p1) followed by an evolution time (t1) followed by a second pulse (p2) followed by a measurement time (t2). A computer is used to compile the spectra as a function of the evolution time (t1). Finally, the Fourier transform is used to convert the time-dependent signals into a two-dimensional spectrum.
The two-dimensional spectrum that results from the COSY experiment shows the frequencies for a single isotope (usually hydrogen, 1H) along both axes. (Techniques have also been devised for generating heteronuclear correlation spectra, in which the two axes correspond to different isotopes, such as 13C and 1H.) The intensities of the peaks in the spectrum can be represented using a third dimension. More commonly, intensity is indicated using contours or different colors. The spectrum is interpreted starting from the diagonal, which consists of a series of peaks. The peaks that appear off of the diagonal are called cross-peaks. The cross-peaks are symmetrical (both above and below) the diagonal and indicate which hydrogen atoms are spin-spin coupled to each other. One can determine which atoms are connected to one another by only a few chemical bonds by matching the center of a cross-peak with the center of each of two corresponding diagonal peaks. The peaks on the diagonal when matched with cross-peaks are coupled to each other.
For example: a CH3CH2COCH3 molecule 2-butanone would show three peaks on the diagonal, due to the three distinct hydrogen groups. By drawing a line straight down from a cross-peak to the point on the diagonal directly above or below it, and then drawing a line from the cross-peak directly across to another peak on the diagonal, one can determine which peaks are coupled. This is done in such a way that the lines from the cross-peak form a 90° angle between the two peaks on the diagonal. The matching peaks, as determined by using the cross-peaks, indicate which hydrogens are coupled, giving a clearer understanding of the structure of the molecule under examination.
2006-10-24 02:22:44
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answer #1
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answered by ☺♥? 6
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explain how it works or what you do with the information? The first can be explained using a textbook so i won't bother answering. as for interpritation 2d nmr tell you what c is attached to what h(s). it can also tell you what c is next to what c depending on technique
2006-10-24 11:20:30
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answer #2
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answered by shiara_blade 6
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