Transform Techniques in Chemistry

The application of the Fourier transform is being seen to an increasing extent in all branches of chemistry, but it is in the area of chemical analysis that the greatest activity is taking place. Fourier transform infrared and nuclear magnetic resonance spectrometry are already routine methods for obtaining high-sensitivity IR and NMR spectra. Analogous methods are now being developed for mass spectrometry (Fourier transform ion cyclo­ tron resonance spectrometry) and microwave spectroscopy, and Fourier transform techniques have been successfully applied in several areas of electrochemistry. In addition the fast Fourier transform algorithm has been used for smoothing, interpolation, and more efficient storage of data, and has been studied as a potential method for more efficient identification of samples using pattern recognition techniques. Linear transforms have also been shown to be useful in analytical chemistry. Probably the most important of these is the Hadamard transform, which has been applied in alternative methods for obtaining IR and NMR data at high sensitivity. Even though measurements involving this algorithm will probably not be applied as universally as their Fourier transform ana­ logs, in the area of pattern recognition application of the Hadamard trans­ form will in all probability prove more important than application of the Fourier transform. Front Matter....Pages i-xviii Transform Techniques in Chemistry: Past, Present, and Future....Pages 1-9 The Fourier Transform and Related Concepts: A First Look....Pages 11-37 Multichannel Methods in Spectroscopy....Pages 39-68 Data Handling in Fourier Transform Spectroscopy....Pages 69-108 Fourier Transform Infrared Spectrometry: Theory and Instrumentation....Pages 109-139 Infrared Fourier Transform Spectrometry: Applications to Analytical Chemistry....Pages 141-172 Hadamard Transform Analytical Systems....Pages 173-197 Pulsed and Fourier Transform NMR Spectroscopy....Pages 199-226 Advanced Techniques in Fourier Transform NMR....Pages 227-255 Fourier Transform Ion Cyclotron Resonance Spectroscopy....Pages 257-284 Fourier Domain Processing of General Data Arrays....Pages 285-305 Fourier and Hadamard Transforms in Pattern Recognition....Pages 307-332 Spectral Representations for Quantized Chemical Signals....Pages 333-353 Applications of the FFT in Electrochemistry....Pages 355-378 Back Matter....Pages 379-385