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Belter R.K.,Y Not Chemical Consulting | Fronczek F.R.,Louisiana State University
Acta Crystallographica Section E: Structure Reports Online | Year: 2013

In the asymmetric unit of the title hydrated salt, 2C6H 6N3 +·SO4 2-·2H2O, there are two independent sulfate ions, one lying on a twofold axis, and the other in a general position. There are three independent benzotriazolium cations and three independent water molecules. The sulfate ion in a general position forms hydrogen-bonded chains of stoichiometry SO4 2-·3H2O in the b-axis direction. The sulfate on the twofold axis is unhydrated and accepts hydrogen bonds from four surrounding benzotriazoles. The benzotriazolium cations form two types of stacks along b. One stack contains only one type of independent cation, related by inversion centers. The other stack contains two alternating independent cations and no symmetry. The two types of stacks have orientations which are rotated by about 79° in the ac plane. 12 symmetrically distinct hydrogen bonds of type N-H⋯O(sulfate), N-H⋯O(water), O-H⋯O(sulfate) and O-H⋯O(water), with donor-acceptor distances in the range 2.5490 (13)-2.7871 (12) Å, form a three-dimensional array. Source


Belter R.K.,Y Not Chemical Consulting
Journal of Fluorine Chemistry | Year: 2012

Whereas most N,N-difluoroaminoalkanes exhibit a single 19F resonance at about +50 ppm, the tri-component mixtures of both N,N-difluoroaminopentanes and N,N-difluoroaminohexanes exhibited a more complex pattern. The individual 1-N,N-difluoroamino-, 2-N,N-difluoroamino- and 3-N,N-difluoroaminopentanes have been synthesized and their separated resonances are reported. © 2012 Elsevier B.V. Source


Belter R.K.,Y Not Chemical Consulting | McFerrin C.A.,Louisiana State University
Journal of Fluorine Chemistry | Year: 2012

At temperatures around 400 °C, nitrogen trifluoride (NF 3) readily reacts with alkanes and benzene as well as ethers to produce stable N,N-difluoroamines. Difluoroamination of benzylic substrates results in initial N,N-difluoroamines that undergo eliminations or rearrangements. Toluene and ethylbenzene produce benzonitrile. Cumene produces α-methylstyrene. Diphenylmethane produces benzanilide. Little or no direct fluorination or radical dimerization is observed. This study uses ab initio calculations to help understand the reasons for such diverse reaction pathways. © 2011 Elsevier B.V. All rights reserved. Source


Belter R.K.,Y Not Chemical Consulting
Journal of Fluorine Chemistry | Year: 2015

A survey of the reaction of nitrogen trifluoride (NF3) with various organometallic reagents finds that organomagnesium (Grignard) reagents are the most useful for producing N,N-difluoroaminoalkanes. Alkyl-alkyl coupling is a persistant side reaction. Organolithiums are marginally effective. Organocopper, organozinc reagents undergo primarily alkyl-alkyl coupling catalyzed by the presence of NF3. Organocalcium and organoaluminum reagents are unreactive. © 2015 Elsevier B.V. All rights reserved. Source


Belter R.K.,Y Not Chemical Consulting
Journal of Fluorine Chemistry | Year: 2011

At temperatures around 400°C, nitrogen trifluoride (NF3) readily reacts with benzylic substrates. Products vary with the substrate, but are all the result of difluoroamination at the benzylic position. Toluene and ethylbenzene produce benzonitrile. Cumene produces α-methylstyrene. Diphenylmethane produces benzanilide. Little or no direct fluorination or radical dimerization is observed. © 2011 Elsevier B.V. All rights reserved. Source

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