Structural and stereochemical factors in the mass spectroscopy of the substituted cyclopentanes. 2. The trialkylcyclopentanes

Golovkina, L. S.; Rusinova, G. V.; Петров, А. С.

doi:10.1007/bf00925399

Cited by 1 publication

(2 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For 1ROP identification, as for the case of SkIPs, literature references − ,, were used to collect 69 additional spectra (belonging to methyl-1ROP and ethyl-1ROP groups), which were added to the MS database. The remaining products (<13% of 1ROPs), which did not match with the compounds present in the MS database, were considered to belong to the propyl-1ROP group, since only a few propyl-1ROP isomers are present in the NIST database and only this group of compounds is not documented in the MS literature.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Understanding the Mechanisms of Decalin Hydroprocessing Using Comprehensive Two-Dimensional Chromatography

Blanco

Felice

Catherin

et al. 2016

Ind. Eng. Chem. Res.

View full text Add to dashboard Cite

Comprehensive two-dimensional gas chromatography (GC × GC) is a powerful technique for analyzing mixtures of hundreds of hydrocarbons. In the context of fuel upgrading through selective ring opening, we propose a methodology for GC × GC analysis of complex mixtures resulting from the hydroprocessing of a single model gas oil compound, decalin, over two different types of bifunctional catalysts based on a transition-metal sulfide (NiWS on amorphous silica–alumina) or a noble metal (Ir on La,Na–Y zeolite). The reactions lead to several products families, the dominant ones being ring-opening products (ROPs) and skeletal-isomerization products (SkIPs). First, it is shown that the ROP distribution can be characterized in terms of isomerization degree by using the cumulative distribution function of the GC × GC (GC Image) software. Second, in a more quantitative approach, the products families have been subdivided into chemical groups, according to the isomerization degrees of the individual compounds, which were almost all tentatively identified by two-dimensional gas chromatography coupled with mass spectrometry (GC × GC-MS) through the use of literature data. This allows us to thoroughly analyze the influence of the catalyst nature and the presence of H2S in the reactant feed on the products distribution, and thereby gain insight into the mechanism of decalin hydroconversion over bifunctional catalysts. In particular, it is shown that metal sulfidation suppresses the metal-catalyzed C–C hydrogenolysis pathway at the benefit of undesirable acid-catalyzed isomerization steps. The methodologic work presented here for decalin is believed to be applicable to other bicyclic (naphthenic or aromatic) compounds.

show abstract

Section: Resultsmentioning

confidence: 99%

“…Computer Language for Identifying Chemicals (CLIC) expressions were used for identification of compound families, and the NIST MS database (version 2.0) was used for the identification of 25 C10 molecules. The database was complemented with 148 mass spectra reported in the literature (see discussion below). − …”

Section: Experimental Sectionmentioning

confidence: 99%