Technically, the result of any Fourier transform infrared (FTIR) analysis is an FTIR spectrum. It is possible to extract extensive information from this IR spectrum.

Each functional group in a molecule has a characteristic IR band (or more bands). Therefore, an IR spectrum can be used to identify the presence of certain functional groups in a sample. This is an application to confirm the molecular structure of an unknown sample typically found in R&D labs or in an academic setting. Agilent MicroLab Expert software provides a helping hand with the interpretation of IR spectra through a comprehensive set of customizable interpretation rules for categorizing IR bands and assigning them to particular functional groups.

Interpretation screen in Agilent MicroLab Expert software. The software identifies best-matching functional groups that might be present in the spectrum. Additional functional groups can be added from the “Matching Functional Groups” table. Color-coding indicates if the sample bands meet the interpretation criteria for the selected functional groups.

Interpretation screen in Agilent MicroLab Expert software. The software identifies best-matching functional groups that might be present in the spectrum. Additional functional groups can be added from the “Matching Functional Groups” table. Color-coding indicates if the sample bands meet the interpretation criteria for the selected functional groups.

Common problems FTIR can help to address include identification of an unknown sample (or confirmation of the identity of a known sample) and the quantification of a component in a sample (e.g., the alcohol content in hand sanitizers). These details can be extracted by manually analyzing the measured IR spectrum. However, manual analyses are often time-consuming, require experience and expertise, and are affected by user variabilities. Therefore, the Agilent MicroLab FTIR software has been designed to eliminate these steps from the workflow. The software is method driven, and at the end of a picture-guided workflow, the user is automatically presented with the final result. For identification workflows, MicroLab displays a hit list with the best library matches, while for quantification applications, the software automatically performs all calculations and provides color-coded results.

The Agilent Cary 630 FTIR spectrometer with method-driven, picture-guided Agilent MicroLab software workflows.

The Agilent Cary 630 FTIR spectrometer with method-driven, picture-guided Agilent MicroLab software workflows.

The MicroLab software for FTIR analysis automatically recognizes the attached sampling module and applies the correct parameters. The software navigates the user, step by step, through the analytical workflow using instructive pictures. Color-coded results, directly reported after data acquisition, make data review quick and intuitive.

The MicroLab software is an integrated part of the Agilent Cary 630 FTIR spectrometer and the Agilent mobile and handheld FTIR instrument solutions.