All about Molecular Spectroscopy - Resources related to Molecular Spectroscopy

The Infrared and Raman Discussion Group, formed in 1950, is one of the oldest independent spectroscopy groups in the UK. It is the national organisation which caters for all who are interested in the theory, practice and teaching of infrared and Raman spectroscopy.

The NMR Information Server provides Magnetic Resonance-related information services that include publishing news from around the world, articles, reports, reviews, photograps, position announcements, etc.

Free-access spectroscopy portal covering the major techniques including mass, infrared, NMR and atomic spectroscopy.

Information on chemiluminescence spectroscopy, produced by San Houston State University

Interactive tutorial, designed to help you understand the role of group theory in assigning infra-red and Raman spectra.

This webpage, part of a larger project "Understanding Chemistry", provides a solid introduction to UV-vis spectroscopy suitable for use in introductory chemistry and introductory analytical chemistry courses. The UV-vis pages discuss UV-vis light, absorption, Beer's law, the double-beam spectrometer, and introduce some standard applications of UV-vis spectroscopy. Explication is clear and thoughtful. Judicious and effective use of graphics. Site is easy to navigate, and the links work.

This video created by The Royal Society of Chemistry- Univ. Warwick and distributed on YouTube is on the basic principles of UV/Vis. Provides a good primer (~5 min), and the “top-off” look of the instrument is useful in explaining components. A double beam instrument is described.

JCAMP formatted spectra and javascript are used to lead the user through the analysis of IR spectra. The software asks the user a series of questions about the spectrum, and provides correction if the user answers incorrectly.

This video created by The Royal Society of Chemistry- Univ. Warwick and distrubuted on YouTube covers the basic principles of infrared spectroscopy. Very useful for a newcomer to IR. This video of 6.5 minute would be useful in a classroom setting or students interested in the technique.

This site describes the theory and practice of IR and NMR spectroscopy for classroom and laboratory instruction. Although it is written for a course at the University of Colorado, Boulder, this site is appropriate for anyone doing analytical measurements with infrared or NMR.

This web site provides thirty beginning, twenty-nine intermediate, and sixteen advanced NMR structure analysis problems and their solutions. For every unknown a proton and a carbon spectrum are provided. Many of the more advanced problems contain COSY and DEPT spectra as well. A particularly useful feature of this site is that the user can zoom into spectral regions in all of the spectra.

A learning module focused on principles and practice of NMR for quantitative analysis, an application less commonly associated with the technique than is structure determination. Links to simulation packages are included.

The introduction to this site provides an entry-level introductions to NMR in a text + figures format. The site also contains two example structure elucidation problems using NMR. IR and MS data complete with hints and answers. Although the molecules are pretty simple, the examples do a good job of illustrating the structure elucidation process. The site also has data for 5 more complex structure determination problems.

This site provides links to a series of pdf files that represent chapters of an e-text on the basics of NMR. While many textbooks on NMR are available the chief merit of this one is that it has a nice chapter on the NMR instrument (ch. 5) which should be accessible to undergraduates. The text also provides a relatively mathematics-free or maybe more accurately Dirac bracket notation-free introduction to 1-D and 2-D (COSY and NOESY) experiments that would be appreciated by advanced undergraduates or beginning graduate students involved in undergraduate research experiences using NMR

An online text on the basics of Nuclear Magnetic Resonance (NMR) spectroscopy. The text contains information especially appropriate for the novice, but topics are treated at sufficient depth to be useful for more advanced students. This resource features animations that illustrate complex NMR concepts such as precession and the rotating frame of reference.

This article describes the use of fluorine (19F) NMR for the analysis and structure determination of biomaterials. Using a traditional text-with-figures format, the article gives an overview of the synthesis of 19F spin-labeled materials and detailed descriptions of 19F chemical shifts and relaxation phenomena as applied to both primary and tertiary structure determinations of biochemical interest.

This website introduces both theoretical and experimental solid state NMR. The subject matter is covered thoroughly. The material is presented with numerous examples that are easy to follow, regardless of one's background. The subject matter is extremely well organized and a pleasure to read.

An overview of the Fourier theorem as applied to analytical measurements is given. The Discrete Fourier Transform and the Fast Fourier Transform algorithms are mentioned, and sampling requirements are discussed. Links are provided to descriptions of Fourier transform based mass spectrometry, infrared spectroscopy and NMR techniques.

SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum. The database contains data for about 34,000 compounds.

The International Spectroscopic Data Bank (IS-DB) is a charitable society, which has developed an electronic database and archive for spectroscopic and associated data. All scientists are encouraged to submit data to the IS-DB, which can then be shared with the rest of the scientific community who can access it free-of-charge.
The IS-DB is collecting all types of spectroscopic data, from all spectroscopic techniques and from all disciplines, whether chemical, life or physical sciences.

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Agilent: Molecular Spectroscopy Support, Applications & eLearning Resources