Can the smart paper be the observation from the excel spreedsheet? Things to thi


Can the smart paper be the observation from the excel spreedsheet?
Things to think about
Processing 1D data:
a) Background
• What information does a 1D proton spectrum provide?
• What are the overall processing steps of 1D-NMR data?
• What is Fourier Transformation?
• What is phasing and how to phase?
• What is chemical shift?
b) How to:
• Start Topspin and open up a file.
• Execute Fourier Transformation.
• Zoom in and out and manipulate the viewing of the spectrum.
• Phase manually or automatically.
• Correct the baseline of the spectrum.
• Calibrate the chemical shift axis.
• Pick peaks.
• Integrate peaks.
• Start Plot-editor for making nice spectral plots.
c) Parameter to be investigated: LB
Procedures to be evaluated: Fourier Transform, Phasing, Integration.
d) Samples: Spectra from nail-polish remover analysis experiment in CHM 303
Obtaining your first 1H-spectrum and understanding Fourier Transformation:
a) Background:
• What is a spin and what is magnetization?
• What is the “rotating frame”?
• What is an rf-pulse?
• What is a Free Induction Decay?
• What is exponential window multiplication?
• How is a received analog signal digitized?
• What is the Nyquist criterion?
b) How to
• Start a new experiment.
• Begin the data acquisition.
c) Commands to be investigated: ZG, RGA
d) Samples: D2O or DCCl3 with H impurity. Use of Excel Demo file
Exploring settings for obtaining a 1H-spectrum and first simulation of NMR spectra
a) Background
• What is the meaning of: spectral window, carrier frequency, off-set, acquisition time, dwell time?
• What is dynamic range and receiver gain?
• What is signal-to-noise?
b) How to
• Change experimental parameters
• Start and use the NMR simulator software.
• Switch nuclei, experiments and samples in NMR simulator.
c) Parameters to be investigated: AQ, TD/SI, SW, NS, RG, O1
d) Samples: D2O or DCCl3 with H impurity.
The instrument basic procedures
a) Background:
• What are the major components of the instrument?
• What affects the resolution of the spectrum?
– Effect of poor shimming on line shapes
– Spinning a sample
– Spinning side-bands
• What does tuning and matching mean?
• What does “lock” mean and what does it do?
b) How to
• Inject a sample.
• Spin a sample.
• Lock a sample.
• Tune and match.
• Shim a sample.
• Watch in real time changes on a spectrum in GS mode.
a) Parameters to be investigated: AQ, TD/SI, SW, SF, NS, RG, O1:
d) Samples: D2O or DCCl3 with H impurity.
Spin-spin coupling, switching between proton and carbon
a) Background:
• What is spin-spin coupling?
• How to read the symbol nJXX?
• What are first and second order spectra?
• What is homonuclear and heteronuclear coupling?
• What is broad band decoupling?
• Considerations when switching to a different pulse program possibly involving different nuclei.
b) How to
• How to read in parameter files
• Obtain a 13C spectrum with or without broad band decoupling.
• Analyze multiplets using Topspin.
c) Procedures to be evaluated:
• Comparison of coupled and decoupled 13C spectra.
d) Samples: 3,3 dimethylpentane and other n-heptane isomers in CDCl3.
Comments from Customer
I need a journal entry

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