skip to main content


Search for: All records

Award ID contains: 2053287

Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
What is a DOI Number?

Some links on this page may take you to non-federal websites. Their policies may differ from this site.

  1. A new compound, Ba 3 Ga 2 O 5 Cl 2 , isostructural with Ba 3 Fe 2 O 5 Cl 2 , was synthesized by solid-state reaction in air. Through single-crystal and powder X-ray diffraction analysis, the crystal structure was determined to be cubic with chiral space group I 2 1 3 and unit-cell parameter a  = 9.928 (1) Å. The Ga 3+ ions in Ba 3 Ga 2 O 5 Cl 2 are coordinated by O atoms and form GaO 4 tetrahedra. Ten neighboring GaO 4 tetrahedra are further bridged through corner sharing and rotation along the body diagonal, producing the chiral structure. Magnetization measurements indicate temperature-independent diamagnetic behavior, which is qualitatively consistent with core diamagnetism from all the constituent elements. 
    more » « less
  2. The synthesis, crystal structure determination, magnetic properties and bonding interaction analysis of a novel 3 d transition-metal complex, [CrBr 2 (NCCH 3 ) 4 ](Br 3 ), are reported. Single-crystal X-ray diffraction results show that [CrBr 2 (NCCH 3 ) 4 ](Br 3 ) crystallizes in space group C 2/ m (No. 12) with a symmetric tribromide anion and the powder X-ray diffraction results show the high purity of the material specimen. X-ray photoelectron studies with a combination of magnetic measurements demonstrate that Cr adopts the 3+ oxidation state. Based on the Curie–Weiss analysis of magnetic susceptibility data, the Néel temperature is found to be around 2.2 K and the effective moment (μ eff ) of Cr 3+ in [CrBr 2 (NCCH 3 ) 4 ](Br 3 ) is ∼3.8 µ B , which agrees with the theoretical value for Cr 3+ . The direct current magnetic susceptibility of the molecule shows a broad maximum at ∼2.3 K, which is consistent with the theoretical Néel temperature. The maximum temperature, however, shows no clear frequency dependence. Combined with the observed upturn in heat capacity below 2.3 K and the corresponding field dependence, it is speculated that the low-temperature magnetic feature of a broad transition in [CrBr 2 (NCCH 3 ) 4 ](Br 3 ) could originate from a crossover from high spin to low spin for the split d orbital level low-lying states rather than a short-range ordering solely; this is also supported by the molecular orbital diagram obtained from theoretical calculations. 
    more » « less
  3. null (Ed.)
  4. null (Ed.)
  5. null (Ed.)