Develop an Understanding of Fourier Methods - Chemistry Assignment Help

Assignment Task

Aims:

To develop an understanding of Fourier methods.
To improve understanding of the Fourier methods.

Objectives:

Measurement and presentation of NMR data using Fourier transforms.
Computation of the raw Fourier transform from the measured data using MSExcel.
Compute the magnitude spectrum from the raw Fourier transform.
Process an FID through to a finished spectrum and annotate the resulting spectrum.

Introduction:

This lab will introduce the use of Fourier Transforms (FT) in Chemical Instrumentation. An additional benefit of FT methods is the multiplex advantage. Multiplexing distributes the errors among the different signals being measured. In this instance FTs will be used to compute the NMR spectrum of a sample. Fourier transforms are used in many areas of instrumentation, including: FTIR, FT-Raman, NMR, x-ray diffraction, and fluorescence. In addition, they also find use in acoustics, optics, physiology, microscopy, and image processing.In this context, a Fourier transform will convert a free induction decay curve into an NMR spectrum. Students interested in the computational details of Fourier transforms should consult a book such as Numerical Recipes in C. This exercise will teach you about the mechanics of processing data using a Fourier transform and interpreting the resulting Fourier coefficients.

Directions:

1) Prepare a sample for the NMR as instructed by the lab supervisor. You may use one of your own NMR spectra from Project work.
2) If you know how to use the NMR run the sample and obtain the required files. If you have not used the NMR, get assistance from the lab supervisor.
3) Obtain the data and process to a spectrum.

Writeup

1) The first step is to get the data into an excel readable form. Do this by dragging and dropping the data into ACDLab Spectrus.
2) Export the data as a text (txt) and then it is readable in excel.
3) When opening you will have to set Excel to open all files.
4) Load the raw FID into Excel and compute the Fourier transforms. (see below for additional suggestions). To import the txt format into excel you should use the open dialog and use the "all files *.*" option in the file type menu. This will allow the files to be viewed and opened.

5) Plot the one column of the FID. Include this in your summary.
6) See notes below on processing the data. Present the data set as a magnitude spectrum. Hints: the excel function ImAbs will assist. Submit this with your summary.
7) Plot the y axis as a logarithm and note the sidelobes. Submit this with your summary.
8) Plot the figure indicated in step 11 below. Submit this with your summary.
9) Plot a final correctly calibrated spectrum. Submit this with your summary.
10) Assign some of the NMR bands (does not need to be extensive) in your spectrum. Be sure to check the reasonableness of the assignments based on your knowledge NMR.
11) Submit two documents: i) a word document containing a summary of your results and the requested graphs, computations, and discussion/explanation; ii) a copy of your spreadsheet containing the raw data and data processing. This spreadsheet will necessarily contain copies of graphs used in the summary document. Be sure that your final spectrum includes axes appropriately. When you write, ge

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