These Rules are as close as possible to the published version [see P.M. Giles, Jr. Pure Appl. Chem., 1999, 71, 587-643. Copyright IUPAC; reproduced with the permission of IUPAC]. If you need to cite these rules please quote this reference as their source. In the World Wide Web version errors which have been detected have been corrected and in 2004 a list of corrections and other changes was published in Pure Appl. Chem., 2004, 76, 1283-1292. These errors and changes are marked by; which is a link to details of the change and where it applies. Many of these errors were detected during the translation of it into German by K.-H. Hellwich. Additional corrections since this list was published are marked by.
Day: July 6, 2011
List of online available stectral databases for all kinds of spectroscopic techniques: NMR, IR, UV/VIS, Raman, Atomic, ESR etc.
Further information categories about related topics are listed in the navigation menu on the left side of these page.
IR Spectra Simulation on the WorldWideWeb
The aim of the project TeleSpec is to provide a tool for the simulation of infrared spectra, especially for compounds whose spectra are not available in any database. Using the benefits of the Internet and of modern methods in computational chemistry, the TeleSpec project is based on the use of artificial neural networks and new molecular representations of structures.
Infrared spectroscopy (IR spectroscopy) is the spectroscopy that deals with the infrared region of the electromagnetic spectrum, that is light with a longer wavelength and lower frequency than visible light. It covers a range of techniques, mostly based on absorption spectroscopy. As with all spectroscopic techniques, it can be used to identify and study chemicals. A common laboratory instrument that uses this technique is a Fourier transform infrared (FTIR) spectrometer.
The infrared portion of the electromagnetic spectrum is usually divided into three regions; the near-, mid- and far- infrared, named for their relation to the visible spectrum. The higher energy near-IR, approximately 14000–4000 cm−1 (0.8–2.5 μm wavelength) can excite overtone or harmonic vibrations. The mid-infrared, approximately 4000–400 cm−1 (2.5–25 μm) may be used to study the fundamental vibrations and associated rotational-vibrational structure.