A specific drophammer test apparatus for measuring the maximum absolute acoustic level was designed and installed. In this contribution we report the results of the testing of six different explosives. All used substances, which are silver azide, lead azide, cyanuric triazide, 1,3,5‐ trinitro‐2,4,6‐triazidobenzene (TNTA), 1,3‐dinitro‐2,4,6‐triazidobenzene (DNTA) and 1,3,5‐trinitro‐2‐monoazidobenzene (TNMA), contained at least one azide group.
The structure and bonding in 2-diazo-4,6-dinitrophenol (DDNP) is discussed on the basis of quantitative molecular orbital (MO) calculations at the density functional theory (DFT) level using the natural bond orbital analysis (NBO). Qualitative valence bond theory (VB) was used to generate an increased VB structure for DDNP. The increased-valence structure is better in accordance with the computed and observed (X-ray) geometry than is the NBO analysis.
The single crystal X-ray structure determinations are reported for [Ph 4 As][Au(N 3 ) 4 ] (1) and Ph 3 PAuN 3 (2). Compound 1 is an ionic species with a ªwindmillº shaped anion. It crystallizes in the monoclinic space group C2/c, a = 18.396(2), b = 6.2492(4), c = 23.555(2) A Ê ; b = 107.98(1)°, Z = 4, R1 (all data) = 0.0227, wR2 = 0.0374. The lattice parameters of compound 2, which crystallizes in the orthorhombic space group P2 1 2 1 2 1 , are a = 10.9252(1), b = 11.5642(1), c = 13.0993(1) A Ê ; Z = 4, R1 (all data) = 0.0176, wR = 0.0334.The experimentally obtained X-ray data and vibrational frequencies of both compounds were compared with those calculated at B3LYP/LANL2DZ and B3LYP/SDD level of theory and for 1 also at the MP2/SDD level.
Einkristallro È ntgenstrukturanalyse und ab Initio Rechnungen von Tetraphenylarsoniumtetraazidoaurat(III) und Azido(triphenylphosphin)gold(I) Inhaltsu È bersicht. Die Einkristallro È ntgenstrukturanalysen von [Ph 4 As][Au(N 3 ) 4 ](1) und Ph 3 PAuN 3 (2) werden beschrieben. 1 ist eine ionische Verbindung nit einem ¹Windradª-fo È rmigen Anion. Sie kristallisiert in der monoklinen Raumgruppe C2/c, a = 18.396(2), b = 6.2492(4), c = 23.555(2) A Ê ; b = 107.98(1)°, Z = 4, R1 (alle Daten) = 0.0227, wR2 = 0.0374. Die Gitterparameter von Verbindung 2, welche in der orthorhombischen Raumgruppe P2 1 2 1 2 1 kristallisiert, sind a = 10.9252(1), b = 11.5642(1), c = 13.0993(1) A Ê ; Z = 4, R1 (alle Daten) = 0.0176, wR2 = 0.0334. Die experimentell beobachteten Ro È ntgendaten und die Schwingungsfrequenzen beider Verbindungen werden mit denen auf B3LYP/LANL2DZ-und B3LYP/ SDD-Niveau und fu È r 1 auch auf MP2/SDD-Niveau berechneten Daten verglichen.
Tetraphenylphosphonium(arsonium) Octabromotriplumbate, Tetraphenylphosphonium Bromodichloroplumbate, Quantum Chemical Calculations [PhiPMPb^Brg] and [PhuAshtPb^Brg] crystallize both in the monoclinic space group Po2\ln. The lattice parameters of [PluPMPb^Brg] are a = 14.637(7), b = 8.151(3), c = 23.388(8) Ä, ß = 106.02(3)°, Z = 2 and of [PluAsMPbsBrg] are a = 14.697(7), b = 8.219(3), c = 23.527(8) A, ß = 106.27(3)°, Z = 2. The lattice parameters of [PhuPHPbBrClilCH^CN, which crystallizes in the triclinic space group (P I), are a = 9.435(3), b = 10.2577(14), c = 14.055(2) Ä, a = 88.320(11)°, ß = 84.82(2)°, 7 = 84.19(2)°, Z = 2. 207Pb NMR shifts of halogenoplumbates in solution are reported.
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