Tunable molecular distortion in crystals with a supramolecular aggregate
- Universidad de Zaragoza (Spain); and others
Crystals of trans-[Ni(cyan-N){sub 2}(NH{sub 3}){sub 4}], which possess a stable supramolecular ribbon by cyanurate ligands, undergo a reversible, non-destructive, temperature-induced phase transition. At room temperature, the crystals are orthorhombic, space group Fmmm, with the molecule on a site of D{sub 2h} (mmm) symmetry. At 20 K, the crystals possess the same orthorhombic unit cell, but have space group Cmcm; the molecule has symmetry C{sub 2v} (m2m), and is distorted by bending of the cyanurate rings out of their common plane. At intermediate temperatures, an intermediate distorted structure emerges. Structural characterizations by x-ray or neutron diffraction at five temperatures from 20 to 298 K are presented. Changes in the electronic spectrum of the compound accompany the temperature-dependent distortion of the molecule. Magnetic measurements indicate that the compound orders as an antiferromagnet at about 3 K.
- OSTI ID:
- 539043
- Report Number(s):
- CONF-960807-; TRN: 97:004029-0111
- Resource Relation:
- Conference: 212. national meeting of the American Chemical Society (ACS), Orlando, FL (United States), 25-30 Aug 1996; Other Information: PBD: 1996; Related Information: Is Part Of 212th ACS national meeting; PB: 1830 p.
- Country of Publication:
- United States
- Language:
- English
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