Open Access Open Access  Restricted Access Subscription Access

Synthesis and Structural Studies of a New Complex of Di[hexabromobismuthate (III)] 2,5-Propylaminepyrazinium [C10H28N4]Bi2Br10


Affiliations
1 Laboratoire de Materiaux et Cristallochimie, Universite de Tunis El Manar, 2092 Tunis, Tunisia
 

A new organic-inorganic hybrid material, [C10H28N4]Bi2Br10, has been synthesized and characterized. The compound crystallizes in monoclinic P21/c space group with a = 11.410(4) Å, b = 11.284(4) Å, c = 12.599(3) Å, β = 115.93(2)°, and V = 1458.8(8) Å3. The structure consists of discrete dinuclear [Bi2Br10]4− anions and [C10H28N4]4+ cations. It consists of a 0-D anion built up of edge-sharing bioctahedron. The crystal net contains N-H⋅⋅⋅ Br hydrogen bonds. The differential scanning calorimetry (DSC) reveals an irreversible phase transition at −17°C. The frontier molecular orbital and the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) calculation allow the classification of the material as an insulator.
User
Notifications
Font Size

Abstract Views: 177

PDF Views: 43




  • Synthesis and Structural Studies of a New Complex of Di[hexabromobismuthate (III)] 2,5-Propylaminepyrazinium [C10H28N4]Bi2Br10

Abstract Views: 177  |  PDF Views: 43

Authors

Mohamed El Mehdi Touati
Laboratoire de Materiaux et Cristallochimie, Universite de Tunis El Manar, 2092 Tunis, Tunisia
Habib Boughzala
Laboratoire de Materiaux et Cristallochimie, Universite de Tunis El Manar, 2092 Tunis, Tunisia

Abstract


A new organic-inorganic hybrid material, [C10H28N4]Bi2Br10, has been synthesized and characterized. The compound crystallizes in monoclinic P21/c space group with a = 11.410(4) Å, b = 11.284(4) Å, c = 12.599(3) Å, β = 115.93(2)°, and V = 1458.8(8) Å3. The structure consists of discrete dinuclear [Bi2Br10]4− anions and [C10H28N4]4+ cations. It consists of a 0-D anion built up of edge-sharing bioctahedron. The crystal net contains N-H⋅⋅⋅ Br hydrogen bonds. The differential scanning calorimetry (DSC) reveals an irreversible phase transition at −17°C. The frontier molecular orbital and the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) calculation allow the classification of the material as an insulator.