An Advanced Undergraduate Chemistry Laboratory Experiment Exploring NIR Spectroscopy and Chemometrics

2007 ◽  
Vol 84 (7) ◽  
pp. 1171 ◽  
Author(s):  
Randall Wanke ◽  
Jennifer Stauffer
Keyword(s):  
Laboratory Experiment ◽  
Nir Spectroscopy ◽  
Chemistry Laboratory ◽  
Undergraduate Chemistry

Reaction Monitoring in Explorative Organic Synthesis Using Fiber-Optical NIR Spectroscopy and Principal Component Analysis

1996 ◽  
Vol 50 (12) ◽  
pp. 1541-1544 ◽  
Author(s):  
Hans-René Bjørsvik
Keyword(s):  
Principal Component Analysis ◽  
Data Analysis ◽  
Latent Variables ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Component Analysis ◽  
Quantitative Information ◽  
Chemistry Laboratory ◽  
Reaction Profile

A method of combining spectroscopy and multivariate data analysis for obtaining quantitative information on how a reaction proceeds is presented. The method is an approach for the explorative synthetic organic laboratory rather than the analytical chemistry laboratory. The method implements near-infrared spectroscopy with an optical fiber transreflectance probe as instrumentation. The data analysis consists of decomposition of the spectral data, which are recorded during the course of a reaction by using principal component analysis to obtain latent variables, scores, and loading. From the scores and the corresponding reaction time, it is possible to obtain a reaction profile. This reaction profile can easily be recalculated to obtain the concentration profile over time. This calculation is based on only two quantitative measurements, which can be (1) measurement from the work-up of the reaction or (2) chromatographic analysis from two withdrawn samples during the reaction. The method is applied to the synthesis of 3-amino-propan-1,2-diol.

Analysis of the Physical Chemistry Experiment for the 12th National Undergraduate Chemistry Laboratory Tournament

Daxue Huaxue ◽  
2021 ◽  
Vol 0 (0) ◽  
pp. 2109118-0
Author(s):  
Lipeng Zhou ◽  
Xubo Zhao ◽  
Jinshuai Song ◽  
Pu Liu ◽  
Xiaomei Yang ◽  
...  
Keyword(s):  
Physical Chemistry ◽  
Chemistry Laboratory ◽  
Undergraduate Chemistry ◽  
Chemistry Experiment

Analysis of Physical Chemistry Experiment for the 11th National Undergraduate Chemistry Laboratory Tournament

Daxue Huaxue ◽  
2019 ◽  
Vol 34 (5) ◽  
pp. 88-93
Author(s):  
Shuying ZHU ◽  
◽  
Yi LI ◽  
Shuting WU ◽  
Yanqiong SUN ◽  
...  
Keyword(s):  
Physical Chemistry ◽  
Chemistry Laboratory ◽  
Undergraduate Chemistry ◽  
Chemistry Experiment
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