Structure Search in Reaxys
Reaxys can be accessed from the Licensed Electronic Resources box in this guide. Remember, you must first log-in with your Brown username and password, and then enter your Reaxys username and password.
Select Substances, Names, Formulas on the Reaxys homepage. Click in the box to open MarvinSketch, the default structure editor in Reaxys. MarvinSketch is a Java-based structure editor; you can also choose one of the two non-Java-based structure editors by clicking Structure Editor.
Draw the structure for each substance. Draw structures without stereochemistry. See Tips for Drawing Inorganic Substances in this guide.
Search for structure As drawn. Check the boxes next to No isotopes and No charges to narrow your search (Align results with query is checked by default, and can remain so).
Choosing an Article
Once you have found your substance, examine the results under the appropriate heading in the Available Data column of the Reaxys table: Spectra > IR Spectroscopy.
Select the article with the most recent year of publication that has IR bands with potassium bromide (KBr) as the solvent or Attenuated Total Reflectance (ATR) with solvent column empty. The article must be available (full text) through our library.
Accessing the Full Text of an Article
Click the yellow 'Find it!' button to see if the full text of the article is available through our library. This will open a library page called easyArticle. Click on the link under Available online. This will bring you either directly to the article or to the journal's site, where you must browse to find the issue that you need. Remember: in order to answer the questions, you must be able to open the PDF.
The property data will be in the article, not the supporting information.
Finding Property Data in an Article
Read the article carefully to find the data that you need. The data may be located in the text of the article, in a table, or in both the text and a table.
If several substances are being studied, then the author(s) often assigns a structure number to keep track of the substances. The structure number can be a letter, number, or letter/number combination. To find the structure number, look for the first mention of your substance in the text, figures, or tables.
Cite the Article
See the Citing the Literature page in this guide for details on how to cite resources for this course.