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Crystals, Volume 6, Issue 2

2016 February - 6 articles

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Articles (6)

  • Article
  • Open Access
7 Citations
5,315 Views
10 Pages

6 February 2016

A novel energetic salt of Bis(semicarbazide) 5,5′-bitetrazole-1,1′-diolate [2(SCZ)·BTO] was synthesized by using semicarbazide hydrochloride and 1H,1’H-5,5’-bitetrazole-1,1’-diol (BTO) as raw materials, and its structure was characterized by elementa...

  • Feature Paper
  • Article
  • Open Access
4 Citations
5,765 Views
9 Pages

5 February 2016

5-Azido-4-(dimethylamino)-1-methyl-1,2,4-triazolium hexafluoridophosphate was synthesized from the corresponding 5-bromo compound with NaN3. Reaction with bicyclo[2.2.1]hept-2-ene yielded a tricyclic aziridine, addition of an N-heterocyclic carbene r...

  • Article
  • Open Access
14 Citations
7,513 Views
12 Pages

2 February 2016

The moments of the electronic density-of-states provide a robust and transparent means for the characterization of crystal structures. Using d-valent canonical tight-binding, we compute the moments of the crystal structures of topologically close-pac...

  • Article
  • Open Access
21 Citations
6,424 Views
11 Pages

H2XP:OH2 Complexes: Hydrogen vs. Pnicogen Bonds

  • Ibon Alkorta,
  • Janet E. Del Bene and
  • Jose Elguero

2 February 2016

A search of the Cambridge Structural Database (CSD) was carried out for phosphine-water and arsine-water complexes in which water is either the proton donor in hydrogen-bonded complexes, or the electron-pair donor in pnicogen-bonded complexes. The ra...

  • Article
  • Open Access
4 Citations
4,865 Views
18 Pages

Synthesis, Crystal Structural Investigations, and DFT Calculations of Novel Thiosemicarbazones

  • Brian J. Anderson,
  • Jerry P. Jasinski,
  • Michael B. Freedman,
  • Sean P. Millikan,
  • Kelly A. O’Rourke and
  • Victoria A. Smolenski

2 February 2016

The crystal and molecular structures of three new thiosemicarbazones, 2-[1-(2-hydroxy-5-methoxyphenyl)ethylidene]-N-methyl-hydrazinecarbothioamide monohydrate (1), 2-[1-(2-hydroxy-5-methoxyphenyl)ethylidene]-N-ethyl-hydrazinecarbothioamide (2) and 2-...

  • Article
  • Open Access
8 Citations
6,296 Views
13 Pages

In situ Synchrotron X-ray Thermodiffraction of Boranes

  • Pascal G. Yot,
  • Philippe Miele and
  • Umit B. Demirci

25 January 2016

Boranes of low molecular weight are crystalline materials that have been much investigated over the past decade in the field of chemical hydrogen storage. In the present work, six of them have been selected to be studied by in situ synchrotron X-ray...

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Crystals - ISSN 2073-4352