Molecular-orbital calculations for polynitropolyhedranes

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Description

Various synthetic pathways to polyhedranes are being evaluated by using theoretical calculations. The results indicate that the synthesis of tetranitrotetrahedrane from tetralithiotetrahedrane is not a promising route. Alternatively, sequential base-promoted nitrations of cubanes seem a much more promising route for obtaining polynitrocubanes.

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31 pages

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Ritchie, J.P. January 1, 1982.

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Description

Various synthetic pathways to polyhedranes are being evaluated by using theoretical calculations. The results indicate that the synthesis of tetranitrotetrahedrane from tetralithiotetrahedrane is not a promising route. Alternatively, sequential base-promoted nitrations of cubanes seem a much more promising route for obtaining polynitrocubanes.

Physical Description

31 pages

Notes

NTIS, PC A03/MF A01.

Source

  • Seminar on high density energetic materials, Dover, NJ, USA, 11 May 1982

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  • Other: DE82018390
  • Report No.: LA-UR-82-1841
  • Report No.: CONF-820598-1
  • Grant Number: W-7405-ENG-36
  • Office of Scientific & Technical Information Report Number: 5261747
  • Archival Resource Key: ark:/67531/metadc1067146

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Office of Scientific & Technical Information Technical Reports

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Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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Creation Date

  • January 1, 1982

Added to The UNT Digital Library

  • Feb. 4, 2018, 10:51 a.m.

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  • Feb. 3, 2021, 7:29 p.m.

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Ritchie, J.P. Molecular-orbital calculations for polynitropolyhedranes, article, January 1, 1982; New Mexico. (https://digital.library.unt.edu/ark:/67531/metadc1067146/: accessed March 29, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.

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