Methanolysis of an extraction residue (ER) from Xianfeng lignite was carried out to obtain extracts 1−4 (E 1 −E 4 ). The molecular compositions (MCs) of oxygen-containing species (OCSs) in E 1 −E 4 were characterized using negative-ion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS). In addition, solid-state 13 C nuclear magnetic resonance and X-ray photoelectron spectrometry were used to analyze the carbon types and oxygen functional groups (OFGs) in the ER. The results show that the carbon skeleton structures in the ER are dominated by aliphatic (50.2%) and aromatic (44.9%) carbons. Methylene and methoxy carbons are the most abundant among the aliphatic carbons. Each aromatic cluster contains three rings on average with two substituent groups on each ring. The OFGs in the ER include hydroxy, ether, carbonyl, and carboxyl groups, among which the hydroxy group is the most abundant. The ESI FT-ICR MS analysis shows that the molecular mass distributions of E 1 −E 4 range from 150 to 500 u. The O n (n = 1−6) class species are the predominant OCSs in E 1 −E 4 , with 0−14 double bond equivalent (DBE) values and 9−34 carbon numbers (CNs). The most abundant O n class species in E 1 −E 4 are O 2 , O 2 , O 2 −O 3 , and O 3 , respectively. The OCSs in E 4 contain low abundances of O 1 and O 2 class species but relatively high abundances of O 4 −O 6 class species. In addition, the O n class species in E 4 have narrower ranges of DBE values and CNs than those in E 1 −E 3 . A series of acidic species with different DBE values and CNs are assigned to alkanoic acids, alkanedioic acids, alkanetricarboxylic acids, alkylarenols, alkylarenediols, alkylarenetriols, and alkylarenoic acids. With high resolving power and mass accuracy, ESI FT-ICR MS is an effective technique for characterizing MC of the soluble portion from lignites, which will facilitate producing important chemicals from lignites.

The structures of typical organic species in Jincheng No. 15 anthracite (J15A) were characterized by solid-state 13 C nuclear magnetic resonance, X-ray photoelectron spectrometry, X-ray diffraction, and Fourier transform infrared spectrometry in combination with gas chromatography/mass spectrometry and electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry analyses of the resulting soluble organic species from ruthenium-ion-catalyzed oxidation (RICO) of J15A. The results show that the typical organic species in J15A are condensed aromatics, along with small amounts of methyl group as the dominant side chain on the condensed aromatic rings (CARs) and methylene linkage connecting the CARs. Every aromatic cluster contains five rings on average, and the substituted degree of each aromatic ring is very low. In addition, J15A is rich in peri-condensed aromatics but poor in cata-condensed aromatics and polyaryls. The oxygen functional groups in J15A include C−O and >CO groups. Pyrrolic nitrogen species and arylthiophenes are the main organic nitrogen and sulfur species in J15A, respectively.

Microwave-assisted hydrogen transfer to anthracene and phenanthrene over Pd/C was investigated under mild conditions. The effects of reaction temperature, initial hydrogen pressure, and reaction time on the reactant conversions and product selectivities were examined. The results show that the hydrogenations of both reactants proceed at much lower temperature and hydrogen pressure under microwave irradiation than those by conventional heating and that related reactions include both mon-and biatomic hydrogen transfer. The reactivities of both reactants and their products toward hydrogenation and/or dehydrogenation are closely related to superdelocalizability and resonance energy values of the related species.

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