IDBS Blog | 23rd June 2016
Stoichiometry data and structure edits
Sometimes, when writing up a synthetic chemical reaction in your notebook, you might need to go back and update the chemical structures that were originally drawn – perhaps because of some small error such as forgetting to add an atom label, or because you were better able to elucidate a molecular structure after analysis.
In the E‑WorkBook Chemistry ELN, we have developed our stoichiometry item panel to cope with just such scenarios, to allow the original reaction scheme to be edited and updated, and for all associated experimental values e.g. mass or volume quantities to be retained.
After the structures have been edited, the system will automatically perform all stoichiometric calculations again, as a change in structure may involve a change to the reaction component’s molecular weight and hence the number of moles available to the reaction. This in turn may have an affect on the theoretical quantity of product and the associated yield. All updated calculations appear automatically within the procedure write-up section as well as the chemistry stoichiometry table itself.