Raman Spectral Analysis for Quality Determination of Grignard Reagent

Grignard reagent is one of the most popular materials in chemical and pharmaceutical reaction processes, and requires high quality with minimal adulteration. In this study, Raman spectroscopic technique was investigated for the rapid determination of toluene content, which is one of the common adult...

Full description

Saved in:
Bibliographic Details
Published in:Applied sciences 2020-05, Vol.10 (10), p.3545
Main Authors: Joshi, Rahul, Joshi, Ritu, Mo, Changyeun, Faqeerzada, Mohammad Akbar, Amanah, Hanim Z, Masithoh, Rudiati Evi, Kim, Moon S, Cho, Byoung-Kwan
Format: Article
Language:English
Subjects:
Analysis
chemical adulteration
Grignard reagent
Grignard reagents
multivariate analysis
Product quality
quality determination
Raman spectroscopy
variable importance in projection
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Grignard reagent is one of the most popular materials in chemical and pharmaceutical reaction processes, and requires high quality with minimal adulteration. In this study, Raman spectroscopic technique was investigated for the rapid determination of toluene content, which is one of the common adulterants in Grignard reagent. Raman spectroscopy is the most suitable spectroscopic method to mitigate moisture and CO2 interference in the molecules of Grignard reagent. Raman spectra for the mixtures of toluene and Grignard reagent with different concentrations were analyzed with a partial least square regression (PLSR) method. The combination of spectral wavebands in the prediction model was optimized with a variables selection method of variable importance in projection (VIP). The results obtained from the VIP-based PLSR model showed the reliable performance of Raman spectroscopy for predicting the toluene concentration present in Grignard reagent with a correlation coefficient value of 0.97 and a standard error of prediction (SEP) of 0.71%. The results showed that Raman spectroscopy combined with multivariate analysis could be an effective analytical tool for rapid determination of the quality of Grignard reagent.
ISSN:2076-3417
2076-3417
DOI:10.3390/app10103545