Automated analysis and simulation of NMR-spectra involving 19F-nuclei by novel program systems for PC, workstation and main frame computer

✍ Scribed by G. Hägele; S. Goudetsidis; U. Weber; H.W. Höffken

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 44 KB
• Volume: 54
• Category: Article
• ISSN: 0022-1139
• DOI: 10.1016/s0022-1139(00)83654-4

✦ Synopsis

The analysis of molecular structures in solution state is widely based on the interpretation of NMR spectral data.

Chemical shifts, resonance frequencies and coupling constants may be obtained efficiently using modern techniques in automated analysis and simulation of high resolution NMR spectra. Considerable progress was achieved when convenient tools were deduced, easy to handle on PC computers or modern workstations. Fully menu-driven programs are presented which will help to extract the NMR parameters from spectra or to produce spectra from NMR parameters given. Examples are shown for several types of fluorinated compounds in organic and inorganic chemistry. The combination of NMR-spectrometer, workstation and PC in network is discussed, which will help to oeconomize NMR-spectroscopic studies for fluorine chemists.