Molecular structure determination

Image of atoms bonding to each other showing the structure of a molecule

The structure of a molecule is inextricably linked to its properties, so determining the structure of your novel or pre-existing molecules is vitally important to many scientific and manufacturing processes. At JBL Science we have equipment to characterise the most demanding molecules, whether they are salts and minerals, small chemicals, polymers or large macromoleules. We can often provide atomic-level detail of chemical bonding, tertiary and quaternary structure to back up and augment functional and other studies.

Every molecule is made up of a collection of atoms and the way that these atoms fit together is called the molecular geometry. This involves the lengths of the bonds between the atoms, the angles between those bonds, the overall shape of the molecule and even the way that individual molecules associate with other molecules.

Since the properties of both chemical and biological materials depending critically on molecular geometry, we are able to offer a range of solutions to determine molecular structure. These include a wide range of spectroscopies, such as RAMAN, FT-IR and NMR as well as X-ray diffraction methodologies.

As well as chemicals, composites and polymers, we can solve structures of bio-molecules, such as small proteins and provide molecular dynamics simulations to back up the results using computation. We provide the technology and expertise to link molecular structure to reactivity, colour, polarity, biological activity and more... get in touch for more information.


A space-fill representation of a molecule

Key industrial sectors that need to determine molecular structures include

Chemicals Industry


Pharmaceutical and formulation

Manufacturing and Construction

Life Sciences



Tools and technologies of relevance include

Molecular spectroscopies

Molecular Dynamics