Preparation, Crystal Structure, and Thermal Analysis of Carbohydrazide Trinitrophloroglucinolate

IF 3.1 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Chemical Research in Chinese Universities Pub Date : 2008-11-01 DOI:10.1016/S1005-9040(09)60006-4

Zhen-hua LIU , Tong-lai ZHANG , Xiao-chun HU , Jian-guo ZHANG , Li YANG , Xiao-jing QIAO

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引用次数: 1

Abstract

A new compound (CHZ)(HTNPG)·0.5H₂O was synthesized by mixing carbohydrazide(CHZ) and trinilrophloroglucinol(TNPG) and characterized by elemental analysis and Fourier transform infrared (FTIR) spectrum. Its crystal structure was determined by single crystal X-ray diffraction analysis. The crystal belongs to triclinic system, P

space group, with a=0.45578(9) nm, b=1.0142(2) nm, c=1.3041(3) nm, α=86.53(3)°, β=99.56(3)°, γ=81.94(3)°, V= 0.5958(2) nm³, Z=2, D_c=2.008 g/cm³, R₁,=0.0476, and wR₂=0.1139. The compound is a di-substituted salt of TNPG, which consists of a cation (CHZ)²⁺ and an anion (HTNPG)²⁺. The thermal analysis of the compound was studied by means of differential scanning calorimetry(DSC) and thermogravimetry-derivative thermogravimetry(TG-DTG). Under nitrogen atmosphere at a heating rate of 10 °C/min, the thermal decomposition of the compound contained one endothermic process of dehydrating stage and two intense exothermic decomposition processes in a temperature range of 140—232 °C on the DSC trace. The decomposition products of the title compound are nearly gaseous products. The existing complicated hydrogen bond networks and electrostatic attraction between (CHZ)²⁺ and (HTNPG)^2- enhance the thermal stability of the title compound.

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碳酰肼三硝基间苯三酚酯的制备、晶体结构和热分析

以碳酰肼(CHZ)和三硝基间苯三酚(TNPG)为原料，合成了一种新的化合物CHZ (HTNPG)·0.5H2O，并用元素分析和傅里叶变换红外(FTIR)对其进行了表征。通过单晶x射线衍射分析确定了其晶体结构。晶体属于三斜系，P空间群，a=0.45578(9) nm, b=1.0142(2) nm, c=1.3041(3) nm， α=86.53(3)°，β=99.56(3)°，γ=81.94(3)°，V= 0.5958(2) nm3, Z=2, Dc=2.008 g/cm3, R1 =0.0476, wR2=0.1139。该化合物是TNPG的二取代盐，由阳离子(CHZ)2+和阴离子(HTNPG)2+组成。采用差示扫描量热法(DSC)和热重-导数热重法(TG-DTG)对化合物进行了热分析。在升温速率为10℃/min的氮气气氛下，化合物的热分解过程包含一个脱水阶段的吸热过程和两个强烈的放热分解过程，DSC示踪温度范围为140 ~ 232℃。标题化合物的分解产物几乎是气态产物。(CHZ)2+和(HTNPG)2-之间存在复杂的氢键网络和静电吸引，增强了标题化合物的热稳定性。

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来源期刊

Chemical Research in Chinese Universities 化学-化学综合

CiteScore

5.30

自引率

6.50%

发文量

152

审稿时长

3.0 months

期刊介绍： The journal publishes research articles, letters/communications and reviews written by faculty members, researchers and postgraduates in universities, colleges and research institutes all over China and overseas. It reports the latest and most creative results of important fundamental research in all aspects of chemistry and of developments with significant consequences across subdisciplines. Main research areas include (but are not limited to): Organic chemistry (synthesis, characterization, and application); Inorganic chemistry (bio-inorganic chemistry, inorganic material chemistry); Analytical chemistry (especially chemometrics and the application of instrumental analysis and spectroscopy); Physical chemistry (mechanisms, catalysis, thermodynamics and dynamics); Polymer chemistry and polymer physics (mechanisms, material, catalysis, thermodynamics and dynamics); Quantum chemistry (quantum mechanical theory, quantum partition function, quantum statistical mechanics); Biochemistry; Biochemical engineering; Medicinal chemistry; Nanoscience (nanochemistry, nanomaterials).