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Crystals, Volume 2, Issue 1

March 2012 - 14 articles

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Articles (14)

  • Article
  • Open Access
36 Citations
8,271 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
12,109 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
8,211 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
7,643 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
7,531 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
8,074 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
6,828 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
8,962 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
6,365 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
7,111 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...

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Crystals - ISSN 2073-4352