Structure and properties evolution with inorganic and organic acids of a new organo-chlorocadmate compound (C6H20N3)2[Cd2Cl10] : theoretical approach
Date
15/09/2019Metadata
Show full item recordAbstract
This work describes the theoretical studies of the reactivity, electrical and thermodynamic properties of a novel organo-chlorocadmate complex (C6H20N3)2[Cd2Cl10] and its inorganic and organic acid derivatives. The synthesis and crystal structure are described, with the compound crystallizing in the orthorhombic (Pnma) space group with unit cell parameters: a = 7.25494(11) Å, b = 29.3000(5) Å, c = 7.33927(13) Å. The semi-empirical calculations reveal that not only are all of the derivatives semiconductors, but also that the inclusion of acids in the structure alter the electrical and thermodynamic properties significantly, demonstrating a systematic and easy method for tuning the materials reactivity along with other desirable properties.
Citation
Harchani , A , Carpenter-Warren , C L , Slawin , A M Z & Haddad , A 2019 , ' Structure and properties evolution with inorganic and organic acids of a new organo-chlorocadmate compound (C 6 H 20 N 3 ) 2 [Cd 2 Cl 10 ] : theoretical approach ' , Journal of Molecular Structure , vol. 1192 , pp. 49-58 . https://doi.org/10.1016/j.molstruc.2019.04.133
Publication
Journal of Molecular Structure
Status
Peer reviewed
ISSN
0022-2860Type
Journal article
Description
This work was supported by the Ministry of Higher Education and Scientific Research of Tunisia.Collections
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