NASA Scientific and Technical Aerospace Reports

changes can have drastic affects. N-amino heterocycles offer a rich platform for ionic liquids. New triazole and tetrazole
systems have been identified as ionic liquid precursors. X-ray crystallography continues to be a powerful tool in identifying
interactions in the solid state.
DTIC
Crystallography; Hydrogen Bonds; Liquid Phases; Liquids
20040073628 Engineering Research and Consulting, Inc., Huntsville, AL
Fluorinated Polyhedral Oligomeric Silsesquioxanes (FluoroPOSS)
Mabry, J. M.; Vij, A.; Marchant, D.; Viers, B. D.; Ruth, P. N.; Schlaefer, C. E.; Apr. 2004; 55 pp.; In English
Contract(s)/Grant(s): F04611-99-C-0025; Proj-2303
Report No.(s): AD-A422508; AFRL-PR-ED-VG-2004-102; No Copyright; Avail: CASI; A04, Hardcopy
Partical contents: Hybrid Inorganic/Organic Polymers, Anatomy of a POSS nanostructure, Poss Synthesis, FluoroPOSS
Synthesis, Fluoropropyl(nTn), Fluorodecyl(8T8), Contact Angle of Water on Fluorodecyl POSS Surface, Contact Angle of
Mercury on Fluorodecyl POSS Surface, AFM Image of Spin-Cast Fluorodecyl(8T8) Surface, Surface Energy of
Fluorosiloxanes, Contact Angle and Chain Length, POSS Polymer Incorporation, Importance of R groups: Affect
compatibility with polymer matrix, PVDF/Fluoroocytl(8T8) POSS,PVDF/ fluoroocytl(nTn) POSS, Fluorinated Ethylene/
Propylene, Poly(chlorotrifluoroethylene), Amorphous FEP, Water Contact Angle.
DTIC
Fluorohydrocarbons; Nanostructures (Devices); Organic Compounds
20040073629 Engineering Research and Consulting, Inc., Edwards AFB, CA
Polynitrogen Chemistry: Recent Development in Pentazole and Polyazide Chemistry
Vij, Ashwani; Vij, Vandan; Haiges, R.; Christe, Karl O.; Mar. 24, 2004; 18 pp.; In English
Contract(s)/Grant(s): F04611-99-C-0025; Proj-DARP
Report No.(s): AD-A422509; AFRL-PR-ED-VG-2004-088; No Copyright; Avail: CASI; A03, Hardcopy
Partial contents: Polynitrogen Chemistry: Recent Development in Pentazole and Polyazide Chemistry, Why Polynitrogen
Compounds?, Geometry of the N5+ cation , (In) Compatabillty of N5+, New Polynitrogen Anions as Counterparts for N5+,
Synthetic Challenge How do we make These New Anions??, Formation and Stabillty of Sllyl Diazonium Salts, Synthesis of
Aryldiazonium Salts, Pentazole Formation. . Not a Trivial Chore!!!, Identification of Arylpentazoles, Cleavage of the
Aryl-Pentazole Bond with Retention of the Pentazole Ring, MSMS of the Parent Ion Peak, Chemical Cleavage of the C-N
Bond, Aryl-pentazole bond cleavage: N5 anion in Solution, Subsequent Decomposition of the Pentazole Anion, Pentazoles
with Heterocyclic Substituents, 15N NMR of 2-pentazoly!-4, 5- dicyano- imidazole, Pentazolate Anion in Solution?,
Chronology of the Pentazolate Anion, What are "normal" N-N distances in azides?, Abnormalities in azide
distances: Artifacts or Structural Contaminants?, Reactivity of hexachioroantimonate (VI) - with Trimethylsilylazide, The
tetraphenylarsonium antimonychioride azide case.
DTIC
Chemical Properties
20040073630 Air Force Research Lab., Edwards AFB, CA
Computational Studies of Ionic Liquids
Boatz, Jerry; Feb. 12, 2004; 13 pp.; In English
Contract(s)/Grant(s): Proj-2303
Report No.(s): AD-A422510; AFRL-PR-ED-VG-2004-036; No Copyright; Avail: CASI; A03, Hardcopy
The structures and relative energies of the six possible N-protonated structures of the 1,5-diamino-1,2,3,4- tetrazolium
cation have been computed at the B3LYP(3)/6-311G(d, p) and MP2/6-311G(d,p) levels of theory. Relative energies have been
refined at the B3LYP(3), MP2, and CCSD(T) levels, using the 6-311G(2df,p) and aug-cc-pvtz basis sets. Isomers 2(4H) and
3(3H) are essentially degenerate at all levels of theory. B3LYP predicts isomer 5(1H) to ring open to form an azide
(NH2NHC(N3)-NH2, CCSD(T)/6-311G(2df,p)//MP2/6-311G(d,p) calculations predict structure 2 to be the most stable
isomer, in agreement with the X-ray crystal structure of the perchlorate salt.
DTIC
Crystal Structure; Liquids; X Rays
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