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Volumn 18, Issue 2, 2010, Pages 121-127

Synthesis and quantum chemical study on 2, 6, 8, 12-tetranitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane

Author keywords

Density functional theory (DFT); Detonation performance; Organic chemistry; Synthesis; Tetranitrohexaazaisowurtzitane

Indexed keywords


EID: 77952864280     PISSN: 10069941     EISSN: None     Source Type: Journal    
DOI: 10.3969/j.issn.1006-9941.2010.02.001     Document Type: Article
Times cited : (10)

References (30)
  • 1
    • 4744340399 scopus 로고    scopus 로고
    • Polyazido high-nitrogen compounds: Hydrazo and azo-1, 3, 5-triazine
    • Huynh M H V, Hiskey M A, Hartline E L, et al. Polyazido high-nitrogen compounds: Hydrazo and azo-1, 3, 5-triazine[J]. Angew Chem Int Ed, 2004, 43: 4924-4928.
    • (2004) Angew Chem Int Ed , vol.43 , pp. 4924-4928
    • Huynh, M.H.V.1    Hiskey, M.A.2    Hartline, E.L.3
  • 3
    • 33646056965 scopus 로고    scopus 로고
    • Preparation and structure of novel hexaazaisowurtzitane cages
    • Herve G, Jacob G, Gallo R. Preparation and structure of novel hexaazaisowurtzitane cages[J]. Chem Eur J, 2006, 12: 3339-3344.
    • (2006) Chem Eur J , vol.12 , pp. 3339-3344
    • Herve, G.1    Jacob, G.2    Gallo, R.3
  • 4
    • 77952846518 scopus 로고    scopus 로고
    • Chinese source
    • 2001.
    • (2001)
  • 5
    • 29544436082 scopus 로고    scopus 로고
    • A novel synthetic route to hexanitrohexaazaisowurtzitane
    • PANG Si-ping, YU Yong-zhong, ZHAO Xin-qi. A novel synthetic route to hexanitrohexaazaisowurtzitane[J]. Propel Explos Pyrotech, 2005, 30: 442-444.
    • (2005) Propel Explos Pyrotech , vol.30 , pp. 442-444
    • Pang, S.-P.1    Yu, Y.-Z.2    Zhao, X.-Q.3
  • 6
    • 33947503573 scopus 로고    scopus 로고
    • Method for making new polycyclic polyamides as precursors for energetic polycyclic polynitramine oxidizers
    • USP 6147209
    • Wardle R B, Hinshaw J C. Method for making new polycyclic polyamides as precursors for energetic polycyclic polynitramine oxidizers: USP 6147209[P]. 2000.
    • (2000)
    • Wardle, R.B.1    Hinshaw, J.C.2
  • 7
    • 34547425935 scopus 로고    scopus 로고
    • The use of trifluoroacetyl as an N- and O-protecting group during the synthesis of energetic compounds containing nitramine and/or nitrate ester groups
    • Anthony J B, Alistair MacCuish, Peter G, et al. The use of trifluoroacetyl as an N- and O-protecting group during the synthesis of energetic compounds containing nitramine and/or nitrate ester groups[J]. Propel Explos Pyrotech, 2007, 32: 20-31.
    • (2007) Propel Explos Pyrotech , vol.32 , pp. 20-31
    • Anthony, J.B.1    MacCuish, A.2    Peter, G.3
  • 10
    • 0034728958 scopus 로고    scopus 로고
    • Utilization of Fukuyama's sulfonamide protecting group for the synthesis of N-substituted α-amino acids and derivatives
    • Lin X D, Hilary D, Nuss J M. Utilization of Fukuyama's sulfonamide protecting group for the synthesis of N-substituted α-amino acids and derivatives[J]. Tetrahedron Lett, 2000, 41: 3309-3313.
    • (2000) Tetrahedron Lett , vol.41 , pp. 3309-3313
    • Lin, X.D.1    Hilary, D.2    Nuss, J.M.3
  • 12
    • 0024374679 scopus 로고
    • Total synthesis of K-13
    • Boger D L, Yohannes D. Total synthesis of K-13[J]. J Org Chem, 1989, 54: 2498-2502.
    • (1989) J Org Chem , vol.54 , pp. 2498-2502
    • Boger, D.L.1    Yohannes, D.2
  • 15
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee C, Yang W, Parr R G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density[J]. Phys Rev B, 1988, 37: 785-789.
    • (1988) Phys Rev B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 16
    • 0001161681 scopus 로고
    • Density-functional thermochemistry. II. The effect of the perdew-wang generalized-gradient correlation correction
    • Becke A D. Density-functional thermochemistry. II. the effect of the perdew-wang generalized-gradient correlation correction[J]. J. Chem. Phys, 1992, 97: 9173-9177.
    • (1992) J. Chem. Phys , vol.97 , pp. 9173-9177
    • Becke, A.D.1
  • 19
    • 46049091681 scopus 로고    scopus 로고
    • Synthesis and theoretical studies of 3, 6-diazido-1, 2, 4, 5-tetrazine
    • LI Xiao-tong, PANG Si-ping, YU Yong-zhong, et al. Synthesis and theoretical studies of 3, 6-diazido-1, 2, 4, 5-tetrazine[J]. Acta Chin Sinica, 2007, 65: 971-976.
    • (2007) Acta Chin Sinica , vol.65 , pp. 971-976
    • Li, X.-T.1    Pang, S.-P.2    Yu, Y.-Z.3
  • 21
    • 33947651444 scopus 로고
    • Chemistry of detonations. I. A simple method for calculating detonation properties of C-H-N-O explosives
    • Kamlet M J, Jacobs S J. Chemistry of detonations. I. A simple method for calculating detonation properties of C-H-N-O explosives[J]. J. Chem. Phys, 1968, 48: 23-35.
    • (1968) J. Chem. Phys , vol.48 , pp. 23-35
    • Kamlet, M.J.1    Jacobs, S.J.2
  • 23
    • 77952792200 scopus 로고
    • Chinese source
    • 1995, 40(23): 2158-2160.
    • (1995) , vol.40 , Issue.23 , pp. 2158-2160
  • 24
    • 0001419888 scopus 로고
    • Numerical simulation of molecular systems. The determination of thermochemical properties
    • Dixon F A, Smart B E. Numerical simulation of molecular systems. The determination of thermochemical properties[J]. Chem Eng Commun, 1990, 98: 173-185.
    • (1990) Chem Eng Commun , vol.98 , pp. 173-185
    • Dixon, F.A.1    Smart, B.E.2
  • 25
    • 0040323749 scopus 로고
    • Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method
    • Bingham R C, Dewar M J S, Lo D H. Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method[J]. J Am Chem Soc, 1975, 97: 1285-1293.
    • (1975) J Am Chem Soc , vol.97 , pp. 1285-1293
    • Bingham, R.C.1    Dewar, M.J.S.2    Lo, D.H.3
  • 26
    • 24444468650 scopus 로고
    • Ground states of molecules. 38. The MNDO method. Approximations and parameters
    • Dewar M J S, Thiel W. Ground states of molecules. 38. The MNDO method. Approximations and parameters[J]. J Am Chem Soc, 1977, 99: 4899-4907.
    • (1977) J Am Chem Soc , vol.99 , pp. 4899-4907
    • Dewar, M.J.S.1    Thiel, W.2
  • 27
    • 0842341771 scopus 로고
    • Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular model
    • Dewar M J S, Zoebisch E G, Healy E F, et al. Development and use of quantum mechanical molecular models. 76. AM1: A new general purpose quantum mechanical molecular model[J]. J Am Chem Soc, 1985, 107: 3902-3909.
    • (1985) J Am Chem Soc , vol.107 , pp. 3902-3909
    • Dewar, M.J.S.1    Zoebisch, E.G.2    Healy, E.F.3
  • 28
    • 84988129057 scopus 로고
    • Optimization of parameters for semiempirical methods I. Method
    • Stewart J J P. Optimization of parameters for semiempirical methods I. Method[J]. J Comput Chem, 1989, 10: 209-220.
    • (1989) J Comput Chem , vol.10 , pp. 209-220
    • Stewart, J.J.P.1
  • 30
    • 77952870697 scopus 로고    scopus 로고
    • x(x=1~5) molecules by density functional theory
    • x(x=1~5) molecules by density functional theory[J]. Acta Chim Sinica, 2008, 66: 23-30.
    • (2008) Acta Chim Sinica , vol.66 , pp. 23-30
    • Du, Q.1    Wang, L.2    Zhan, X.-H.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.