Molecular and fragment ion structure for ortho- and meta-xylene isomers

Author(s):  
F.H. Abd El-Kader ◽  
A.A. Shokhba
Keyword(s):  
2000 ◽  
Vol 6 (1) ◽  
pp. 53-64 ◽  
Author(s):  
V.V. Takhistov ◽  
I.N. Domnin ◽  
D.A. Ponomarev

Ionization and appearance energies of some fragment ions from 1,2,3-trimethy1-3-phenyl-, 3-methyl-1,2,3-triphenyl-, 1,2-diphenyl-3-methoxycarbonyl-, 1,2,3-triphenyl-3-methoxycarbonyl- and 1,3,3-triphenyl-2-methoxycarbonyl-cyclopropenes were measured by photoionization mass spectrometry. It was shown that in none of these compounds did the fragment ions possess the expected stable substituted cyclopropenium ion structure. Accordingly, possible schemes of molecular ion isomerization are given. The enthalpies of formation of nearly 50 substituted cyclopropenium ions, and ions of related structure, were estimated using series of isodesmic reactions. This publication, together with the previous works of the authors in this Journal, demonstrates the general methodology for estimation of the enthalpy of formation for even-electron ions. It is suggested that the present methodology can provide a good alternative to other estimation or computation procedures applied to the thermochemistry of ions.


2012 ◽  
Vol 109 (22) ◽  
Author(s):  
J. Vorberger ◽  
Z. Donko ◽  
I. M. Tkachenko ◽  
D. O. Gericke

Langmuir ◽  
2001 ◽  
Vol 17 (11) ◽  
pp. 3375-3381 ◽  
Author(s):  
Hidetoshi Matsumoto ◽  
Yoshiyuki Koyama ◽  
Akihiko Tanioka

2006 ◽  
Vol 28 (6) ◽  
pp. 648-656 ◽  
Author(s):  
Katy Maguin ◽  
Robert Lataye ◽  
Pierre Campo ◽  
Benoît Cossec ◽  
Manuella Burgart ◽  
...  
Keyword(s):  

2019 ◽  
Vol 72 (2) ◽  
pp. 11 ◽  
Author(s):  
Takatsugu Endo ◽  
Kozo Fujii ◽  
Keiko Nishikawa

The ionic liquid (IL), 1-butyl-3-methylimidazolium hexafluorophosphate ([C4mim]PF6), is one of the most representative ILs. Despite its relatively simple ion structure and popularity, [C4mim]PF6 shows complex and confusing thermal phase behaviours, which stem from crystal polymorphism associated with cation conformational change and large thermal hysteresis. To the best of our knowledge, [C4mim]PF6 is the most investigated IL in terms of phase diagram, whereas full understanding has not yet been achieved due to its complexity. Here we review the current status of understanding of the phase diagram and structure/dynamics of each crystalline phase. Presently, depending on temperature and pressure, five structurally different polymorphic crystals have been reported as α, β, γ, δ, and δ’ in addition to some unspecified phases implied by calorimetric studies. Particularly for the α, β and γ phases, the structure and dynamics are well investigated by Raman, NMR, and X-ray scattering techniques.


Author(s):  
Sinchan Banerjee ◽  
Anna Bedics ◽  
Péter Harkai ◽  
Balázs Kriszt ◽  
Nagaraju Alpula ◽  
...  

AbstractTo develop effective bioremediation strategies, it is always important to explore autochthonous microbial community diversity using substrate-specific enrichment. The primary objective of this present study was to reveal the diversity of aerobic xylene-degrading bacteria at a legacy BTEX-contaminated site where xylene is the predominant contaminant, as well as to identify potential indigenous strains that could effectively degrade xylenes, in order to better understand the underlying facts about xylene degradation using a multi-omics approach. Henceforward, parallel aerobic microcosms were set up using different xylene isomers as the sole carbon source to investigate evolved bacterial communities using both culture-dependent and independent methods. Research outcome showed that the autochthonous community of this legacy BTEX-contaminated site has the capability to remove all of the xylene isomers from the environment aerobically employing different bacterial groups for different xylene isomers. Interestingly, polyphasic analysis of the enrichments disclose that the community composition of the o-xylene-degrading enrichment community was utterly distinct from that of the m- and p-xylene-degrading enrichments. Although in each of the enrichments Pseudomonas and Acidovorax were the dominant genera, in the case of o-xylene-degrading enrichment Rhodococcus was the main player. Among the isolates, two Hydogenophaga strains, belonging to the same genomic species, were obtained from p-xylene-degrading enrichment, substantially able to degrade aromatic hydrocarbons including xylene isomers aerobically. Comparative whole-genome analysis of the strains revealed different genomic adaptations to aromatic hydrocarbon degradation, providing an explanation on their different xylene isomer-degrading abilities.


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