UV/Vis Database User's Guide

V. Talrose, A.N. Yermakov, A.N. Leskin, A.A. Usov, A.A. Goncharova, N.A. Messineva, N.V. Usova, M.V. Efimkina, E.V. Aristova

Institute of Energy Problems of Chemical Physics, Russian Academy of Sciences

Sources of data

The overwhelming majority of spectra are taken from original scientific papers with the precise references. Some of the data are taken from several published collections. These collections include:

  1. "Atlas of spectra of aromatic and hetrocyclic compounds", Koptyug, V.A. (editor), Science, Siberian Department of AS USSR, Novosibirsk, volumes 28-35 (1984-1986).
  2. "Absorption spectra in the visible region", Lang, L. (editor) volumes 1-20, Budapest, 1959-1975.
  3. "UV atlas of organic compounds", published in collaboration with the Photoelectric Spectrometry Group, London, and the Institute for Spectrochemie un Angewandte Sspectroskopie, Dortmund, volumes 1-5, London, Butterworths and Weinheim, Chemie, 1966-1971.
  4. "Ultraviolet absorption spectra of aromatic hydrocarbons", Kusov, M.M., Shimanko, N.A., and Shishkina, M.V., AS USSR, Moscow.
  5. "Ultraviolet absorption spectra of heteroorganic compounds", Bol'shakov, G.V., Vatago, V.S., and Agrest, F.B., Chemistry, Leningrad Department, Leningrad, 1969.

No data was used from "Ultraviolet spectra of aromatic compounds", Friedel, R.A., and Milton, M.O., U.S. Bureau of Mines, Bruceton PA, John Wiley and Sons, New York, 1951. 60 of the 600 substances in the publication were examined and found to often be different from spectra in later literature and have narrower wavelength disaption.

Data treatment

  1. The UV/Vis spectra collected are taken mainly in the liquid phase (this reflects the nature of the literature the spectra are abstracted from). Consequently the data on the solvent used are included. In some rare cases when data published were obtained in the gas or vapor phases just such spectra were included in the collection.
  2. It is typical for literature on UV/Vis spectra to contain a shortened form mentioning only absorption for some spectra plot peculiarities (couples of logarithm ε and wavelength). Data are only used if the source contains a spectrum in graph form or (a very rare case) a detailed digital form.
  3. For the X and Y axes, nm and logarithm ε (the logarithm is base 10) are accepted as being used predominately in the recent literature for UV spectra presentation. Any other units, were recalcualted to match this convention. If the absorbency data in a literature source can not be presented in quantitative form, the source was omitted.
  4. The spectrometer used is described strictly as stated in the original paper. The effective spectral resolution claimed for the measurements is treated likewise.

Auxiliary data

Registry number in the UV/Vis data collection.
Celsius scale data, updated with information from CRC Hanbdbook of Chemistry and Physics, David R. Lide (Editor-in-Chief), 78th edition 1997-1998, CRC Press, Boca Raton, FL.
Same as melting point data. Abbreviations "sub." and "dec." mean sublimation and decomposition.
As stated in the original source. When only pH is indicated it means the solvent is water. The abbreviation "n.s.g." means no data about the solvent are given in the original source.
As stated in the original source. Abbreviation "n.i.g." means no data about the instrument are given in the original source.