Qualitative analysis of aromatic compounds via 1D TOCSY techniques

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

作者机构：State Key Laboratory of Coal ConversionInstitute of Coal ChemistryChinese Academy of Sciences27 South Taoyuan RoadTaiyuan030001China Graduate University of Chinese Academy of SciencesBeijing100049China Marine Biomedical Research InstitutionGuangdong Medical UniversityZhanjiang524023China College of ChemistryTaiyuan University of Technology79 Yingze West StreetWanbailin DistrictTaiyuan030024China 

出 版 物：《Magnetic Resonance Letters》 (磁共振快报（英文）)

年 卷 期：2024年第4卷第1期

页      面：21-27页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 0702[理学-物理学] 

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

主　　题：1D TOCSY NMR technologies Xylenes Aromatic compounds Structure information of entire molecular Qualitative analysis 

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 ap***,because of similar physical and chemical properties,these compounds are difficult to be identified by gas chromatography(GC)without standard *** 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 *** 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 *** 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 *** importantly,full molecular structures can be clearly distinguished by setting appropriate mixing time in 1D *** approach simplifies the NMR spectra,provides structural information of entire molecules,and can be applied for the analysis of other structural isomers.