Entering your reaction participants and experimental conditions

0

This tutorial shows you how to enter all your experimental information in the Experiment working space. It shows you how to add reaction participants (reactants, solvents and products), experimental conditions and how to fill in the stoichiometry table. An extra step when filling in all the information about your experiment is to add your reaction participants (e.g. reactants, solvents or products).

You can do this either by importing .mol files, copying&pasting structures from a third party drawing package such as ChemDraw or other, searching your compounds in Mbook’s database with more than 2500 compounds, or drawing them using the powerful molecular editor from MarvinSketch now integrated in Mbook.

Building your experiments:

The picture below shows you a blank template of the experiment work area where you can start adding your experiment’s data:

Experimental conditions:

Click on the “Experiment conditions” button shown below to add values to parameters such as temperature, pH, pressure and time and give a brief description of any particular experimental condition:

 

Adding Reaction Participants:

Now it is time to add your reaction participants. You can either do this by importing .mol files, searching your compounds in Mbook´s database with more than 2500 compounds, or drawing them using the molecular editor. A recommendation here would be to search for as many participants as possible in the database to avoid drawing errors and saving precious time. In either case you have to click on the “Add participant” button:

You can select each Participant’s role according to its nature and search participants by name or CAS code, etc.:

An example of searching for your participants in the database is shown below:

If your participant is not in the database then you can use the molecular editor. From Mbook v.2.0 you can enjoy using Marvin JS molecular editor, which allows you:

  • Drawing of more complex structures i.e. salts, metallic complexes, solutions, supported reagents, enzymes, etc.
  • Easy copy&paste from your preferred drawing package i.e. ChemDraw.
  • Automatic IUPAC nomenclature on compound’s profile.

Alternatively, if you are importing your structures as .mol files you just need to click on the ‘Add participant/File/Import file’.

Further information about using the molecular editor can be found in the manual.

Stoichiometry table:

Once you add a Participant to the reaction scheme the experiment table gets automatically filled in with the participant’s molecular formula and molecular weight. Then you will have to manually type the amount of compound and volume. Stoichiometric values will also be added automatically, saving you time and potential calculation errors. Once you finish entering your experimental data, the table should look something like this:

 

Share.

About Author

Digital Marketing Specialist in Mestrelab Research S.L. Read her profile here.

Comments are closed.