Qualitative analysis of aromatic compounds via 1D TOCSY techniques  

作　　者：Wenbo Dong Qi Zhao Jiancheng Zhao Jiarong Zhang Yingxiong Wang Yan Qiao 

机构地区：[1]State Key Laboratory of Coal Conversion,Institute of Coal Chemistry,Chinese Academy of Sciences,27 South Taoyuan Road,Taiyuan,030001,China [2]Graduate University of Chinese Academy of Sciences,Beijing,100049,China [3]Marine Biomedical Research Institution,Guangdong Medical University,Zhanjiang,524023,China [4]College of Chemistry,Taiyuan University of Technology,79 Yingze West Street,Wanbailin District,Taiyuan,030024,China

出　　处：《Magnetic Resonance Letters》2024年第1期21-27,共7页磁共振快报（英文）

基　　金：We thank the Natural Science Foundation of Shanxi Province(202103021224439);National Natural Science Foundation of China(22075308)for financial support.

摘　　要：The aromatic compounds,including o-xylene,m-xylene,p-xylene,and ethylbenzene,primarily originate from the catalytic reforming of crude oil,and have a wide variety of applications.However,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard samples.With the development of modern nuclear magnetic resonance(NMR)techniques,NMR has emerged as a powerful and efficient tool for the rapid analysis of complex and crude mixtures without purification.In this study,the parameters of one-dimensional(1D)total correlation spectroscopy(TOCSY)NMR techniques,including 1D selective gradient TOCSY and 1D chemicalshift-selective filtration(CSSF)with TOCSY,were optimized to obtain comprehensive molecular structure information.The results indicate that the overlapped signals in NMR spectra of nonpolar aromatic compounds(including o-xylene,m-xylene,p-xylene and ethylbenzene),polar aromatic compounds(benzyl alcohol,benzaldehyde,benzoic acid),and aromatic compounds with additional conjugated bonds(styrene)can be resolved in 1D TOCSY.More importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D TOCSY.This approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers.

关 键 词：1D TOCSY NMR technologies XYLENES Aromatic compounds Structure information of entire molecular Qualitative analysis 

分 类 号：TQ24[化学工程—有机化工] O657.2[理学—分析化学]