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  • 1
    Electronic Resource
    Electronic Resource
    Characterization, Crystal Structure of 2,4-Bis(triphenylphosphanimino)tetrazolo[5,1-a]-[1,3,5]triazine, and Improved Crystal Structure of 2,4,6-Triazido-1,3,5-triazine (1998)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1998 (1998), S. 2013-2016 
    Details
    ISSN: 1434-1948
    Keywords: Cyanuric azide ; Tetrazole ; Triazine ; Nitrogen compounds ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 2,4-Bis(triphenylphosphanimino)tetrazolo[5,1-a][1,3,5]triazine (1) was synthesized by reaction of cyanuric azide with triphenylphosphane. 1 is characterized by X-ray structural analysis, IR, Raman, and NMR spectroscopy. The obtained spectra showed that the remaining azide group in 1 reacts with the N4 atom of the triazine ring and forms a tetrazole. An improved crystal structure for 2,4,6-triazido-1,3,5-triazine (2) was determined and for the first time a 14N-NMR spectrum was obtained. CAUTION: 2 (Cyanuric azide) is explosive! The explosive nature increases with greater purity and crystal size.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 2
    Electronic Resource
    Electronic Resource
    Synthesis and X-ray Structure Determination of tert-Butylhydrazinium Azide and N,N,N-Trimethylhydrazinium Azide (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 849-852 
    Details
    ISSN: 1434-1948
    Keywords: Azides ; Hydrazinium azide ; Hydrazine ; Nitrogen compounds ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: tert-Butylhydrazinium azide [tBuNH2NH2]+[N3]- (1) was prepared in a high yield reaction from tert-butylhydrazine and HN3. N,N,N-Trimethylhydrazinium azide [NH2N(CH3)3]+[N3]- (2) was prepared from the reaction of silver azide with N,N,N-trimethylhydraziniumiodide. Both were characterized by X-ray structural analysis, IR, Raman, and multinuclear (1H, 13C, 14N) NMR spectroscopy.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Zerfall von Nitrosylazid, N4O: Existieren auch cyclische Stickstoff-Oxide? (1995)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 201-203 
    Details
    ISSN: 0009-2940
    Keywords: Nitrogen oxides ; Calculations, ab initio ; Tetranitrogen monoxide ; Dinitrogen monoxide ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Decomposition of Nitrosyl Azide, N4O: Are Cyclic Nitrogen Oxides Existent?The unimolecular decomposition of nitrosyl azide (tetranitrogen monoxide), N4O, was studied at the electron-correlated, spin-restricted RMP2 level with the 6-31G(d,p) and 6-31+G* basis sets. Frequency calculations were performed at 6-31+G* on the optimized structures. It is demonstrated that the experimentally established trans-trans-N4O (Cs) may either interconvert into cis-cis-N4O which upon decomposition forms cyclic N4O (C2v) as an intermediate species to finally give N2O (C∞v) and N2, or trans-trans-N4O may directly dissociate into cyclic N2O (C2v) and N2. All structures determined were rationalized by energy hypersurface calculations.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19951280220
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  • 4
    Electronic Resource
    Electronic Resource
    The Structures of [X2Y—N—YX2]+ Cations (X = F, Cl; Y = S, Se). A Comparison of X-ray and ab Initio Studies[1] (1995)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 35-40 
    Details
    ISSN: 0009-2940
    Keywords: Selenium-nitrogen compounds ; Sulfur-nitrogen compounds ; Calculations, ab initio ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structures of cationic species of the series [X2Y—N—YX2]+ (X = F, Cl; Y = S, Se) have been computed ab initio using all electron treatments for first-row elements and sulfur and quasi-relativistic pseudopotentials for Se and Cl. Splitvalence basis sets with polarization and diffuse functions were employed. The MP2 results for the (non-isostructural!) cations [Cl2Se—N—SeCl2]+ (1: Cs) and [F2S—N—SF2]+ (2: C2v) are in excellent agreement with the experimental (X-ray) observations. Both structures represent local minima. A deeper minimum for either of the cations is represented by another C2v isomer which for crystal lattice energy reasons is stable in the isolated state only. The geometries of the hitherto unknown species [Cl2S—N—SCl2]+ (3) and [F2Se—N—SeF2]+ (4) have been assessed by ab initio HF calculations. In analogy to 2, cations 3 and 4 are predicted to prefer C2v symmetry. Therefore, 1 exhibits unusual structural features. According to strictly localized natural bond orbital analysis (NBO), the central nitrogen atoms in 1 and 2 possess two lone pairs of electrons (LP: one sp hybrid and one p orbital). The relatively short Se—N and S—N bond distances in 1 (1.741-1.760 Å) and 2 (1.551 Å) can best be attributed to LP(N)→s̰*(Y—X) negative hyperconjugation (1: Y = Se, X = Cl; 2: Y = S, X = F).
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19951280106
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