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Crystals, Volume 2, Issue 1

2012 March - 14 articles

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Articles (14)

  • Article
  • Open Access
36 Citations
8,338 Views
15 Pages

Theoretical and Experimental Study of LiBH4-LiCl Solid Solution

  • Olena Zavorotynska,
  • Marta Corno,
  • Eugenio Pinatel,
  • Line H. Rude,
  • Piero Ugliengo,
  • Torben R. Jensen and
  • Marcello Baricco

21 March 2012

Anion substitution is at present one of the pathways to destabilize metal borohydrides for solid state hydrogen storage. In this work, a solid solution of LiBH4 and LiCl is studied by density functional theory (DFT) calculations, thermodynamic modeli...

  • Communication
  • Open Access
1 Citations
12,392 Views
7 Pages

19 March 2012

The title compound (3) was prepared from 4-chloroaniline in good yield on successive oxidation and methylation and its crystal and molecular structure is reported. The compound crystallizes in the monoclinic space group P 21/n with unit cell dimensio...

  • Article
  • Open Access
15 Citations
8,291 Views
10 Pages

Synthesis and Crystal Structures of New 5,5'-Azotetrazolates

  • Gerhard Laus,
  • Volker Kahlenberg,
  • Klaus Wurst,
  • Herwig Schottenberger,
  • Niko Fischer,
  • Jörg Stierstorfer and
  • Thomas M. Klapötke

15 March 2012

Five new 5,5'-azotetrazolate salts (amminsilver, trimethylsulfonium, tetramethyl-phosphonium, trimethylsulfoxonium, 2-(hydroxyethyl)trimethylammonium) were prepared and characterized. The crystal structures were determined by X-ray diffraction. Inter...

  • Article
  • Open Access
5 Citations
7,707 Views
8 Pages

12 March 2012

The first betaine chloride tetrachloroidoferrate(III) double salt, (Hbet)2Cl[FeCl4] = (Hbet)Cl·(Hbet)[FeCl4], was obtained from a solution of betaine hydrochloride (HbetCl) and FeCl3∙6 H2O in water. The crystal structure (orthorhombic, Pbcm, a = 6.27...

  • Article
  • Open Access
6 Citations
7,616 Views
9 Pages

Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent

  • Gerhard Laus,
  • Verena Adamer,
  • Michael Hummel,
  • Volker Kahlenberg,
  • Klaus Wurst,
  • Sven Nerdinger and
  • Herwig Schottenberger

12 March 2012

Crystalline 2-ethylimidazole-1-sulfonyl azide was designed as a convenient reagent with improved thermal stability for electrophilic azidation of carbanions. The compound crystallized in the monoclinic space group P21/c. The molecules are arranged in...

  • Communication
  • Open Access
7 Citations
8,126 Views
5 Pages

29 February 2012

The crystal and molecular structure of 1,2:5,6-di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose is reported. This compound crystallizes from a petroleum ether/ethyl acetate mixture with the chiral orthorhombic space group P212121 with four m...

  • Communication
  • Open Access
2 Citations
6,902 Views
6 Pages

6 February 2012

The crystal and molecular structure of tert-butyl 4-(2-tert-butoxy-2-oxoethyl)-piperazine-1-carboxylate is reported. The title compound crystallizes from a petroleum ether/ethyl acetate mixture in the monoclinic space group P 21/c with four molecules...

  • Article
  • Open Access
6 Citations
9,073 Views
9 Pages

1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates

  • Gerhard Laus,
  • Volker Kahlenberg,
  • Klaus Wurst,
  • Michael Hummel and
  • Herwig Schottenberger

6 February 2012

The crystal structures of four salts of 1,4-diazabicyclo[2.2.2]octane (DABCO) and 5-aminotetrazole are described. Anhydrous 1:1 (Pbca, Rgt = 0.041) and 1:2 (P, Rgt = 0.038) salts form hydrogen-bonded layers of anions and cations. The monohydrate of t...

  • Article
  • Open Access
4 Citations
6,406 Views
12 Pages

16 January 2012

This article investigates hole transport in poly[2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV)/CdSe colloidal quantum dot (CQD) nanocomposites using a modified time-of-flight photoconductivity technique. The measured hole drift mo...

  • Article
  • Open Access
14 Citations
7,168 Views
13 Pages

New Fulvalenium Salts of Cobalt Bis(dicarbollide): Crystal Structures and Electrical Conductivities

  • Olga N. Kazheva,
  • Grigory G. Aleksandrov,
  • Andrey V. Kravchenko,
  • Vladimir A. Starodub,
  • Irina A. Lobanova,
  • Irina D. Kosenko,
  • Igor B. Sivaev,
  • Vladimir I. Bregadze,
  • Lev I. Buravov and
  • Oleg A. Dyachenko

6 January 2012

New radical cation salts (BEDT-TTF)[8,8',(7)-Cl2(Cl0.09)-3,3'-Co(1,2-C2B9H9.91)(1',2'-C2B9H10)] (1), (BEDT-TTF)[8,8'-Br0.75Cl1.25-3,3'-Co(1,2-C2B9H10)2] (2), and (BMDT-TTF)4[8,8'-Br1.16(OH)0.72-3,3'-Co(1,2-C2B9H10.06)2] (3) were synthesized, and thei...

  • Review
  • Open Access
17 Citations
7,301 Views
22 Pages

6 January 2012

Dynamics of photoinduced phase transitions in molecular conductors are reviewed from the perspective of interplay between correlated electrons and phonons. (1) The charge-transfer complex TTF-CA shows a transition from a neutral paraelectric phase to...

  • Article
  • Open Access
4 Citations
9,900 Views
9 Pages

4 January 2012

The title compound [H2NNHC(NH2)2]2[C6HO2(NO2)3] (2) was prepared in 85% yield by treatment of sodium styphnate with 2 equivalents of aminoguanidinium nitrate, followed by crystallization from aqueous solution. Compound 2 crystallizes in the triclinic...

  • Article
  • Open Access
6 Citations
7,471 Views
12 Pages

Studies of Modified Hydrogen Storage Intermetallic Compounds Used as Fuel Cell Anodes

  • Yun Chen,
  • Diogo M. F. Santos,
  • César A. C. Sequeira and
  • Rui F. M. Lobo

28 December 2011

The possibility of substituting Pt/C with the hydrogen storage alloy MlNi3.6Co0.85Al0.3Mn0.3 as the anode active material of a proton exchange membrane fuel cell system has been analyzed. The electrochemical properties indicate that a much more elect...

  • Article
  • Open Access
11 Citations
7,654 Views
21 Pages

27 December 2011

A systematic investigation of phase transitions in unmilled and milled LiBH4 has been performed by Pressurized Differential Scanning Calorimetry (PDSC). It was found that a large exotherm is present below the low temperature (LT) → high temperature (...

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Crystals - ISSN 2073-4352