1,4-bis-[1-methyltetrazol-5-yl]-1,4-dimethyl-2-tetrazene:: A stable, highly energetic hexamer of diazomethane (CH2N2)6

被引:61
作者
Klapötke, TM [1 ]
Mayer, P [1 ]
Schulz, A [1 ]
Weigand, JJ [1 ]
机构
[1] Univ Munich, LMU, Chair Inorgan Chem, D-81377 Munich, Germany
关键词
gas generator; high energy density materials (HEDM); high-nitrogen material; tetrazene; tetrazole;
D O I
10.1002/prep.200400078
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
1,4-bis-[1-methyltetrazol-5-yl]-1,4-dimethyl-2-tetrazene a formal hexamer of diazomethane can be viewed as a new stable high energy density material (HEDM) with the properties necessary for a potential green chemistry gas generator. The physical properties of the new tetrazene were determined by drop hammer and combined IR and MS pyrolysis experiments. The structure and bonding are discussed on the basis of X-ray, MO and NBO analysis.
引用
收藏
页码:325 / 332
页数:8
相关论文
共 58 条
[1]  
Adam D, 2002, PROPELL EXPLOS PYROT, V27, P7, DOI 10.1002/1521-4087(200203)27:1<7::AID-PREP7>3.0.CO
[2]  
2-J
[3]   AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :354-+
[4]  
BUTLER RN, 1982, J CHEM RES-S, P183
[5]   Computational study of the amination of halobenzenes and phenylpentazole.: A viable route to isolate the pentazolate anion? [J].
Carlqvist, P ;
Östmark, H ;
Brinck, T .
JOURNAL OF ORGANIC CHEMISTRY, 2004, 69 (09) :3222-3225
[6]  
Christe KO, 1999, ANGEW CHEM INT EDIT, V38, P2004, DOI 10.1002/(SICI)1521-3773(19990712)38:13/14<2004::AID-ANIE2004>3.0.CO
[7]  
2-7
[8]   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- [J].
Dixon, DA ;
Feller, D ;
Christe, KO ;
Wilson, WW ;
Vij, A ;
Vij, V ;
Jenkins, HDB ;
Olson, RM ;
Gordon, MS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (03) :834-843
[9]   ABINITIO CORRELATED CALCULATIONS OF 6 N6 ISOMERS [J].
ENGELKE, R .
JOURNAL OF PHYSICAL CHEMISTRY, 1992, 96 (26) :10789-10792
[10]   ABINITIO CALCULATIONS OF 10 CARBON NITROGEN CUBANOIDS [J].
ENGELKE, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (07) :2961-2967