New Hybrid Material: (C3H6N3)4Bi2Cl10. Synthesis, Structural Study and Spectroscopic Behavior

被引：0
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作者：
Hela Ferjani
Habib Boughzala
机构：
[1] IMSIU (Al Imam Mohammad Ibn Saud Islamic University),Chemistry Department, College of Science
[2] Manar II Tunis,Laboratoire de Matériaux et Cristallochimie, Faculté des Sciences de Tunis, Université de Tunis El Manar
来源：
Russian Journal of Inorganic Chemistry | 2018年 / 63卷
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摘要：
The structure of (C3H6N3)4Bi2Cl10 was determined by single crystal X-ray diffraction at room temperature. It crystallizes in the orthorhombic space group Pcmn, with a = 9.430 (1) Å, b = 17.426 (3) Å, c = 19.883(5) Å, V = 3267.3 (11) Å3 and Z = 4. The structure consists of discrete binuclear [Bi2Cl10]4– anions and 3-aminopyrazolium cations. The crystal packing is governed by weak N–H···Cl hydrogen bonds, π–π and electrostatic Cl···Cl interactions. Infrared spectrum is used to gain more information on the title compound. An assignment of the observed vibration modes is reported. The crystal morphology is studied using the BFDH laws. The calculated HOMO and LUMO energies show that charge transfer occur within organic and inorganic molecules. The optical absorption of the zero-dimensional hybrid was also investigated.
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页码：349 / 356
页数：7
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