Systems and methods for monitoring chemical reactions using continuous UV-Vis spectroscopy.

Abstract

The invention relates to a system and method for investigating the progress of a chemical reaction by continuously measuring ultraviolet-visible (UV-VIS) absorption spectra in real time, using a Photodiode Array (PDA) detector. The UV-VIS spectrum of the reaction system is acquired simultaneously at multiple wavelengths throughout the reaction, either in-situ or online, without the need for intermittent sampling or direct intervention in the reaction system. The acquired spectral data are processed to monitor variations in absorption intensity at characteristic wavelengths, thereby determining the reaction progress, including the consumption of starting materials, product formation, and the appearance and disappearance of intermediate species. The system and method described in the invention allow for reaction kinetic analysis, support inference of reaction mechanisms and optimization of reaction conditions, and reduce sampling errors, improving the accuracy and repeatability of the data compared to traditional discontinuous analysis methods.The invention is applicable to a wide variety of chemical reaction systems in the fields of organic chemistry and pharmaceutical chemistry, within the scope of reaction system components capable of absorption in the UV-VIS region.