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References (36)
-
Y. Alexeev, T. Windus, C. Zhan, D. Dixon (2005)
Accurate heats of formation and acidities for H3PO4, H2SO4, and H2CO3 from ab initio electronic structure calculationsInternational Journal of Quantum Chemistry, 102
-
S. Shackelford, J. Belletire, J. Boatz, S. Schneider, Amanda Wheaton, Brett Wight, Leslie Hudgens, H. Ammon, S. Strauss (2009)
Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.Organic letters, 11 12
-
P. Keller (1970)
Deuterium-exchange study on the B9H14- ionInorganic Chemistry, 9
-
D. Himmelberger, Laif Alden, Martin Bluhm, L. Sneddon (2009)
Ammonia borane hydrogen release in ionic liquids.Inorganic chemistry, 48 20
-
A. Hofmann, P. Schleyer (1999)
Solid State and Solution Structures of 9-Vertex Arachno Boron Hydride Clusters. An ab Initio/IGLO/NMR StudyInorganic Chemistry, 38
-
Qinghua Zhang, J. Shreeve (2014)
Energetic ionic liquids as explosives and propellant fuels: a new journey of ionic liquid chemistry.Chemical reviews, 114 20
-
L. Curtiss, P. Redfern, K. Raghavachari (2007)
Gaussian-4 theory.The Journal of chemical physics, 126 8
-
J. Elguero (2011)
Polymorphism and Desmotropy in Heterocyclic Crystal StructuresCrystal Growth & Design, 11
-
Wen-Zhi Yao, Steven Kelley, R. Rogers, T. Vaid (2015)
Electrical conductivity in two mixed-valence liquids.Physical chemistry chemical physics : PCCP, 17 21
-
J. Holbrey, W. Reichert, R. Rogers (2004)
Crystal structures of imidazolium bis(trifluoromethanesulfonyl)imide 'ionic liquid' salts: the first organic salt with a cis-TFSI anion conformation.Dalton transactions, 15
-
L. Curtiss, K. Raghavachari, P. Redfern, V. Rassolov, J. Pople (1998)
Gaussian-3 (G3) theory for molecules containing first and second-row atomsJournal of Chemical Physics, 109
-
Frederick Wang, P. Simpson, W. Lipscomb (1961)
THE MOLECULAR STRUCTURE OF B9H13NCCH3Journal of the American Chemical Society, 83
-
M. Tissandier, K. Cowen, W. Feng, Ellen Gundlach, Michael Cohen, and Earhart, J. Coe, T. Tuttle (1998)
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation DataJournal of Physical Chemistry A, 102
-
T. Tuttle, Syd Malaxos, J. Coe (2002)
A New Cluster Pair Method of Determining Absolute Single Ion Solvation Energies Demonstrated in Water and Applied to AmmoniaJournal of Physical Chemistry A, 106
-
A. Karton, Jan Martin (2007)
Heats of formation of beryllium, boron, aluminum, and silicon re-examined by means of W4 theory.The journal of physical chemistry. A, 111 26
-
Parker McCrary, Preston Beasley, O. Cojocaru, S. Schneider, T. Hawkins, J. Perez, Brandon McMahon, M. Pfeil, J. Boatz, S. Anderson, S. Son, R. Rogers (2012)
Hypergolic ionic liquids to mill, suspend, and ignite boron nanoparticles.Chemical communications, 48 36
-
L. Curtiss, K. Raghavachari, P. Redfern, J. Pople (1997)
Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formationJournal of Chemical Physics, 106
-
Y. Alexeev, T. Windus, C. Zhan, D. Dixon (2005)
Yuri Alexeev, Theresa L. Windus, Chang-Guo Zhan, David A. Dixon, Erratum toInternational Journal of Quantum Chemistry
-
A. Klamt, G. Schüürmann (1993)
COSMO : a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientJournal of The Chemical Society-perkin Transactions 1
-
N. Godbout, D. Salahub, J. Andzelm, E. Wimmer (1992)
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validationCanadian Journal of Chemistry, 70
-
U. Kusari, P. Carroll, L. Sneddon (2008)
Ionic-liquid-promoted decaborane olefin-hydroboration: a new efficient route to 6-R-B10H13 derivatives.Inorganic chemistry, 47 20
-
G. Desiraju (2013)
Crystal engineering: from molecule to crystal.Journal of the American Chemical Society, 135 27
-
W. Ewing, P. Carroll, L. Sneddon (2010)
Efficient syntheses of 5-X-B(10)H(13) Halodecaboranes via the photochemical (X = I) and/or base-catalyzed (X = Cl, Br, I) isomerization reactions of 6-X-B(10)H(13).Inorganic chemistry, 49 4
-
Keith Gutowski, D. Dixon (2006)
Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10.The journal of physical chemistry. A, 110 43
-
Chengteh Lee, Weitao Yang, R. Parr (1988)
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.Physical review. B, Condensed matter, 37 2
-
J. Bould, R. Greatrex, J. Kennedy, D. Ormsby, Michael Londesborough, K. Callaghan, M. Thornton-Pett, T. Spalding, S. Teat, William Clegg, H. Fang, N. Rath, L. Barton (2002)
Structural chemistry of arachno-nonaboranes.Journal of the American Chemical Society, 124 25
-
M. Stracke, G. Ebeling, R. Cataluña, J. Dupont (2007)
Hydrogen-Storage Materials Based on Imidazolium Ionic LiquidsEnergy & Fuels, 21
-
M. Nguyen, M. Matus, D. Dixon (2007)
Heats of formation of boron hydride anions and dianions and their ammonium salts [BnHmy-][NH4+]y with y=1-2.Inorganic chemistry, 46 18
-
D. Camaioni, Christine Schwerdtfeger (2005)
Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+".The journal of physical chemistry. A, 109 47
-
J. Tomasi, B. Mennucci, R. Cammi (2005)
Quantum mechanical continuum solvation models.Chemical reviews, 105 8
-
F. Stephens, Vincent Pons, R. Baker (2007)
Ammonia-borane: the hydrogen source par excellence?Dalton transactions, 25
-
D. Martin (1959)
The development of borane fuelsJournal of Chemical Education, 36
-
Brian Rekken, A. Carre-Burritt, B. Scott, B. Davis (2014)
N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materialsJournal of Materials Chemistry, 2
-
Parker McCrary, Patrick Barber, Steven Kelley, R. Rogers (2014)
Nonaborane and decaborane cluster anions can enhance the ignition delay in hypergolic ionic liquids and induce hypergolicity in molecular solvents.Inorganic chemistry, 53 9
-
L. Curtiss, P. Redfern, K. Raghavachari, V. Rassolov, J. Pople (1999)
Gaussian-3 theory using reduced Mo/ller-Plesset orderJournal of Chemical Physics, 110
-
A. Becke (1993)
Density-functional thermochemistry. III. The role of exact exchangeJournal of Chemical Physics, 98
- Publisher
- Wiley
- Copyright
- © 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
- ISSN
- 2192-6506
- eISSN
- 2192-6506
- DOI
- 10.1002/cplu.201600270
- Publisher site
- See Article on Publisher Site
Abstract
Boranes and boron hydrides are well known for their novel molecular structures and useful chemical reactivity, with [B9H14]− notable in particular for its ease of isolation, unusual structure, and tautomerization. We report an experimental and theoretical investigation of the structure of [B9H14]− and the energetics of some of its reactions. Salts of [B9H14]− with 1‐ethyl‐3‐methylimidazolium and N‐butyl‐N‐methylpyrrolidinium were characterized by single‐crystal X‐ray diffraction and demonstrate the stabilization of an isomer of [B9H14]− not previously observed in the solid state. Heats of formation and acid dissociation constants of [B9H14]− and closely related structures were calculated. The results suggest a mechanism for particularly energetic hypergolic ignition induced by protonation and suggest potential for reversible H2 storage. These results encourage further investigation of [B9H14]− as an energy‐storage medium in ionic systems.
Journal
ChemPlusChem – Wiley
Published: Sep 1, 2016
Keywords: ; ; ; ;