New computer file could standardise how chemists report MOF syntheses

A computer file that stores information on how scientists synthesise and characterise metal–organic frameworks (MOFs) could standardise the reporting of such materials. These files offer a potential way to reduce the discrepancy between methods and help chemists recreate existing MOFs more easily.

Making MOFs is a fine balancing act, with temperature, solvent and pH all affecting how ligands and metal ions form these highly porous materials. MOF research has rapidly increased over the past few years, meaning that the field has not had time to establish a consistent way to report such materials. Following a method in one paper does not necessarily mean that the synthesis will work or lead to the same exact product, as key information can either be missing or not reported in enough detail.

Scientists at EU4MOFS have now developed a new file format to standardise the way that researchers report synthetic methods and properties of MOFs. EU4MOFS is a collaboration of nearly 300 MOF researchers across Europe.

Known as a Material Preparation Information File (MPIF), the file stores information about reaction steps, reagents, conditions and equipment used to create MOFs, as well as ways to handle and store MOFs once they’re made. Similar files include crystallographic information files that store crystal structures or auditory information files for sounds.

Condensing practical information in this way may allow chemists to more reliably reproduce MOFs and compare routes to the same MOF, highlighting which differences between methods are the most critical. As the file is machine-readable, the researchers say that MPIFs may be able to train machine learning algorithms to predict whether a new synthetic strategy will work.

The team hopes that such files will become a standard part of research papers to make the reporting of MOF synthesis more transparent and consistent.