Energetic Silver Salts with 5-Aminotetrazole Ligands

Methylation of 5-amino-1H-tetrazole ( 1 ) gives 1-methyl-5-amino-1H-tetrazole ( 2 ) and 2-methyl-5-amino-1H-tetrazole ( 3 ). A new family of energetic silver complexes based on ligands 1 , 2 and 3 with perchlorate and nitrate anions ( 10 – 15 ) were synthesized and characterized by using IR, Raman, and NMR (¹H, ¹³C, ¹⁴N, and ³⁵Cl NMR) spectroscopy, elemental analysis, and mass spectrometry. The crystal structures of the compounds were determined where possible and reveal interesting structural details that are discussed herein. Additionally, differential scanning calorimetry was used to assess the thermal stability of the new salts, which showed excellent thermal stabilities at temperatures up to and above 225 °C. Standard tests were also used to assess the sensitivity of the materials towards impact and friction. All the silver complexes showed increased sensitivity values in comparison with analogous protonated 5-amino-1H-tetrazolium perchlorate and nitrate salts. Some of these materials have sensitivity values that are comparable to commonly used primary explosives and all of them either deflagrate ( 12 – 14 ) or detonate loudly ( 10 and 11 ) on contact with an open flame. Lastly, nitrate salt 11 is easily initiated by thermal shock. It shows reasonably low sensitivity in comparison with other silver salts (e.g., silver azide or silver fulminate), which makes handling it much less hazardous. Compound 11 also has good thermal stability, decomposing at ≈300 °C, and shows interesting properties as a more environmentally benign alternative to lead(II) diazide in initiation devices for civil and military applications.     

Prediction of the ground motion in Italy: a preliminary attempt

Summary The strong-motion accelerograms written by moderate and strong earthquakes occurring in Central Italy in recent years have been used to estimate physical quantities characterizing the spectrum of motion in the band of engineering interest (0.1 Hz≲f≲20 Hz). The source, propagation and site response parameters obtained in these analyses have therefore been employed to check if theoretical models may be used to correctly predict the trend of the peak values of seismic excitationvs. earthquake size in the areas investigated. For the selected data set, representative of a seismotectonic environment generating earthquakes with prevalent normal faulting (up to a magnitudeM _l ∼7, at depths varying roughly from 5 to 15 km), the assumed spectral model allows successful statistical predictions showing that specific site response is the main factor responsible for the large fluctuations often observed in the data behaviour, at similar magnitudes and distances from focus.

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Riassunto Gli accelerogrammi registrati in occasione di terremoti da moderati a forti nell'Italia Centrale negli ultimi anni sono stati utilizzati per la stima delle grandezze fisiche che caratterizzano lo spettro del moto nella banda di interesse ingegneristico (0.1 Hz≲f≲20 Hz). La parametrizzazione ottenuta per descrivere, mediamente, i meccanismi della sorgente, della propagazione e degli effetti di sito è stata quindi usata per verificare se i modelli teorici possono essere utilmente usati per prevedere gli andamenti dei valori di picco del moto in funzione dell'entità del terremoto. Per i dati selezionati, rappresentativi di un ambiente sismotettonico in grado di generare terremoti con meccanismi prevalentemente distensivi (fino ad una magnitudoM _l ∼7, con profondità variabile all'incirca tra 5 e 15 km), il modello spettrale prescelto consente delle previsioni soddisfacenti da un punto di vista statistico, mostrando che la specifica risponsta dei siti è probabilmente il fattore che provoca le sensibili fluttuazioni spesso osservate per i valori di picco del moto, anche a parità di magnitudo e distanza dal fuoco.

     

Silver cluster induced absorption enhancement and conformation control of peptides

We present a theoretical study of the structural and optical properties of isolated silver cluster-tripeptide hybrid systems. We show that small silver clusters induce enhancement of the optical absorption of peptides. Moreover, silver clusters bound to peptides can reduce the conformational flexibility and invoke changes of the secondary structure. Thus, they might serve as local optical probes in biolabelling applications.     

Synthesis and characterization of new complexes of the type [Ru(CO)2Cl2 (2‐phenyl‐1,8‐naphthyridine‐kN) (2‐phenyl‐1,8‐naphthyridine‐kN′)]. Preliminary applications in homogeneous catalysis

Novel ruthenium (II) complexes were prepared containing 2‐phenyl‐1,8‐naphthyridine derivatives. The coordination modes of these ligands were modified by addition of coordinating solvents such as water into the ethanolic reaction media. Under these conditions 1,8‐naphthyridine (napy) moieties act as monodentade ligands forming unusual [Ru(CO)₂Cl₂(η¹‐2‐phenyl‐1,8‐naphthyridine‐ kN )(η¹‐2‐phenyl‐1,8‐naphthyridine‐kN′)] complexes. The reaction was reproducible when different 2‐phenyl‐1,8‐naphthyridine derivatives were used. On the other hand, when dry ethanol was used as the solvent we obtained complexes with napy moieties acting as a chelating ligand. The structures proposed for these complexes were supported by NMR spectra, and the presence of two ligands in the [Ru(CO)₂Cl₂(η¹‐2‐phenyl‐1,8‐naphthyridine‐ kN )(η¹‐2‐phenyl‐1,8‐naphthyridine‐kN′)] type complexes was confirmed using elemental analysis. All complexes were tested as catalysts in the hydroformylation of styrene showing moderate activity in N,N′‐dimethylformamide. Copyright © 2008 John Wiley & Sons, Ltd.     

The Böhm–Bawerk horse market: a cooperative analysis

Single–valued solutions for the case of two-sided market games without product differentiation, also known as Böhm–Bawerk horse market games, are analyzed. The nucleolus is proved to coincide with the τ value, and is thus the midpoint of the core. The Shapley value is in the core only if the game is a square glove market, and in this case also coincides with the two aforementioned solutions.Institutional support from research grants BEC 2002-00642, FEDER and SGR2001-0029 is gratefully acknowledged     

On the origin of the cation templated self-assembly of uranyl-peroxide nanoclusters

Uranyl-peroxide nanoclusters display different topologies based on square, pentagonal and hexagonal building blocks. Computed complexation energies of different cations (Li(+), Na(+), K(+), Rb(+), and Cs(+)) with [UO(2)(O(2))(H(2)O)](n) (n = 4, 5, and 6) macrocycles suggest a strong cation templating effect. The inherent bent structure of a U-O(2)-U model dimer is demonstrated and justified through the analysis of its electronic structure, as well as of the inherent curvature of the four-, five-, and six-uranyl macrocyles. The curvature is enhaced by cation coordination, which is suggested to be the driving force for the self-assembly of the nanocapsules.