Temperature-induced isosymmetric reversible structural phase transition in [Cl2Cd(dabco-CH2Cl)]2·(μ-Cl)2

Autor:	Li Zhang, Deng-Deng Huang, Qi-Jian Pan, Li-Zhuang Chen
Rok vydání:	2014
Předmět:	Phase transition Ligand Organic Chemistry DABCO Crystal structure Dihedral angle Analytical Chemistry Inorganic Chemistry chemistry.chemical_compound Crystallography chemistry Phase (matter) Moiety Spectroscopy Monoclinic crystal system
Zdroj:	Journal of Molecular Structure. 1078:68-73
ISSN:	0022-2860
DOI:	10.1016/j.molstruc.2014.03.030
Popis:	[Cl2Cd(dabco-CH2Cl)]2·(μ-Cl)2 was synthesized and separated as colorless block crystals. DSC and dielectric measurements verified that this compound underwent a reversible phase transition at ca. 157 K with a hysteresis of 8.5 K. The crystal structures determined at 100 K (a = 14.3591(10) A, b = 13.5732(9) A, c = 14.1919(10) A, β = 112.6540(10)°, V = 2552.6(3) A3, Z = 4) and 293 K (a = 7.8952(6) A, b = 13.6562(11) A, c = 14.4039(9) A, β = 122.660(3)°, V = 1307.46(17) A3, Z = 2) were all monoclinic in P21/c, showing that the phase transition was isosymmetric. The two structures in low-temperature phase (LTP) and room-temperature phase (RTP) differed distinctively in the molar ratios of configurations for the cations. Conformations of the dabco rings showed significant differences between RTP (293 K) and LTP (100 K) temperature phases. N–C–C–N torsion angle of one dabco ring in ligand moiety was largely twisted as a consequence of the phase transition.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::574e172807cf761438cd6090b04ac63e https://doi.org/10.1016/j.molstruc.2014.03.030 Zobrazit plný text záznamu Full Text from ScienceDirect