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Tandem Mass Spectrometric Evaluation of Core Structures of Aromatic Compounds after Catalytic Deoxygenation

preprint
submitted on 15.09.2017, 01:42 and posted on 23.09.2017, 02:01 by Xueming Dong
Catalytic deoxygenation of coal enhances the stability and combustion performance of coal-derived liquids. However, determination of the selectivity of removal of oxygen atoms incorporated in or residing outside of aromatic rings is challenging. This limits the ability to evaluate the success of catalytic deoxygenation processes. A mass spectrometric method, in-source collision-activated dissociation (ISCAD), combined with high resolution product ion detection, is demonstrated to allow the determination of whether the oxygen atoms in aromatic compounds reside outside of aromatic rings or are part of the aromatic system, because alkyl chains can be removed from aromatic cores via ISCAD. Application of this method for the analysis of a subbituminous coal treated using a supported catalyst revealed that the catalytic treatment reduced the number of oxygen-containing heteroaromatic rings but not the number of oxygen atoms residing outside the aromatic rings.

History

Topic

  • Mass Spectrometry

Email Address of Submitting Author

fanxing@cumt.edu.cn

Email Address(es) for Other Author(s)

dong89@purdue.edu

Institution

Purdue University

Country

USA

ORCID For Submitting Author

0000-0001-5530-5563

Declaration of Conflict of Interest

No

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ChemRxiv

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