Literature DB >> 16836465

Stability of high-energy N14H4(2+) ion and the effects of carbon and halogen substitution.

Roshawnda Cottrell1, Jacqueline Jones, Ami Gilchrist, Danielle Shields, Douglas L Strout.   

Abstract

Previous studies of oxygen addition into an N12 cage framework revealed the possibility of stable high-energy density materials (HEDM) resulting from such additions. In the current study, nitrogen addition into N12 is studied as a means of generating stable HEDM. Nitrogen addition into N12 is shown to yield an N14H4(2+) ion, which is examined by theoretical calculations to determine its stability with respect to dissociation. Other variations on this ion are generated by substituting carbon for nitrogen and/or halogens for hydrogen. The cage structures will be compared with respect to stability, and factors that enhance stability will be discussed.

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Year:  2006        PMID： 16836465      PMCID： PMC2597225          DOI： 10.1021/jp0620318

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


  11 in total

1.  High-energy-density materials: synthesis and characterization of N5+[P(N3)6]-, N5+[B(N3)4]-, N5+[HF2]-.n HF, N5+[BF4]-, N5+[PF6]-, and N5+[SO3F]-.

Authors:  Ralf Haiges; Stefan Schneider; Thorsten Schroer; Karl O Christe
Journal:  Angew Chem Int Ed Engl       Date:  2004-09-20       Impact factor: 15.336

2.  On the way to "solid nitrogen" at normal temperature and pressure? Binary azides of heavier group 15 and 16 elements.

Authors:  Carsten Knapp; Jack Passmore
Journal:  Angew Chem Int Ed Engl       Date:  2004-09-20       Impact factor: 15.336

3.  Besides N(2), What Is the Most Stable Molecule Composed Only of Nitrogen Atoms?

Authors:  Mikhail N. Glukhovtsev; Haijun Jiao; Paul von Ragué Schleyer
Journal:  Inorg Chem       Date:  1996-11-20       Impact factor: 5.165

4.  Stability of carbon-nitrogen cages in fourfold symmetry.

Authors:  Douglas L Strout
Journal:  J Phys Chem A       Date:  2006-03-23       Impact factor: 2.781

5.  Stability of nitrogen-oxygen cages N12O2, N14O2, N14O3, and N16O4.

Authors:  Karleta D Colvin; Douglas L Strout
Journal:  J Phys Chem A       Date:  2005-09-08       Impact factor: 2.781

6.  Experimental detection of the pentaazacyclopentadienide (pentazolate) anion, cyclo-N5-**.

Authors:  Ashwani Vij; James G Pavlovich; William W Wilson; Vandana Vij; Karl O Christe
Journal:  Angew Chem Int Ed Engl       Date:  2002-08-16       Impact factor: 15.336

7.  Enthalpies of formation of gas-phase N3, N3-, N5+, and N5- from Ab initio molecular orbital theory, stability predictions for N5(+)N3(-) and N5(+)N5(-), and experimental evidence for the instability of N5(+)N3(-).

Authors:  David A Dixon; David Feller; Karl O Christe; William W Wilson; Ashwani Vij; Vandana Vij; H Donald Brooke Jenkins; Ryan M Olson; Mark S Gordon
Journal:  J Am Chem Soc       Date:  2004-01-28       Impact factor: 15.419

8.  First generation of pentazole (HN5, pentazolic acid), the final azole, and a zinc pentazolate salt in solution: A new N-dearylation of 1-(p-methoxyphenyl) pyrazoles, a 2-(p-methoxyphenyl) tetrazole and application of the methodology to 1-(p-methoxyphenyl) pentazole.

Authors:  R N Butler; John C Stephens; Luke A Burke
Journal:  Chem Commun (Camb)       Date:  2003-04-21       Impact factor: 6.222

9.  Polyazido high-nitrogen compounds: hydrazo- and azo-1,3,5-triazine.

Authors:  My-Hang V Huynh; Michael A Hiskey; Ernest L Hartline; Dennis P Montoya; Richard Gilardi
Journal:  Angew Chem Int Ed Engl       Date:  2004-09-20       Impact factor: 15.336

10.  Single-bonded cubic form of nitrogen.

Authors:  Mikhail I Eremets; Alexander G Gavriliuk; Ivan A Trojan; Dymitro A Dzivenko; Reinhard Boehler
Journal:  Nat Mater       Date:  2004-07-04       Impact factor: 43.841
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