Jump to main content
Jump to site search

Issue 39, 2014
Previous Article Next Article

Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(II)]

Author affiliations

Abstract

A new centrosymmetric one-dimensional ABX3-type organic–inorganic hybrid polymer compound ([C5H6N+][CdBr3]) was synthesized and separated into block colorless crystals. DSC and dielectric measurements indicate that this compound undergoes a reversible phase transition at 230 K with a hysteresis width of 17.9 K. The crystal structures, determined at 293(2) K and 140(2) K, show that the phase transition is a type of isosymmetric change from the space group of Pbca (no. 61) in the low-temperature phase (LTP) to the space group of Cmcm (no. 63) in the room-temperature phase (RTP). The main difference between the LTP and the RTP structures is the distribution of the nitrogen atoms in the pyridinium cations. In the LTP, pyridinium cations are well ordered with localized N and C atom positions. Meanwhile, for the RTP, the N atoms are indistinguishable from the C3 atoms with the occupancy of N/C3 atoms being 0.5, separately. Noncovalent static attracting forces (Coulombic and van der Waals forces) and nonclassical C–H⋯Br and N–H⋯Br hydrogen-bond interactions stabilize the crystal structure.

Graphical abstract: Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(ii)]

Back to tab navigation

Supplementary files

Publication details

The article was received on 16 Apr 2014, accepted on 25 Jul 2014 and first published on 28 Aug 2014


Article type: Paper
DOI: 10.1039/C4CE00799A
Citation: CrystEngComm, 2014,16, 9284-9290

  •   Request permissions

    Temperature-induced isosymmetric reversible structural phase transition in catena-[pyridinium tris(μ2-bromo)-cadmium(II)]

    J. Jin, L. Jin and E. Su, CrystEngComm, 2014, 16, 9284
    DOI: 10.1039/C4CE00799A

Search articles by author

Spotlight

Advertisements