Preparation, characterization, and the molecular structure of 2,4,6-trinitro-mesitylene

被引：0
|
作者：
Yan-Hong Liu
Tong-Lai Zhang
Jian-Guo Zhang
Li Yang
Wen-Guang Yu
Rui-Feng Wu
Kai-Bei Yu
机构：
[1] Beijing Institute of Technology,State Key Laboratory of Explosion Science and Technology
[2] Chinese Academy of Sciences,Center of Analysis and Test of Chengdu Branch
来源：
Structural Chemistry | 2006年 / 17卷
关键词：
Trimethylbenzene; Trinitro-trimethylbenzene; Molecular structure; Density functional theory; Thermal decomposition;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
We reported in this study the synthesis, culture of crystal, and single-crystal X-ray crystallography of the 2,4,6-trinitro-trimethylbenzene (TNTM) compound. We found the crystal belongs to the Triclinic system with space group P-1. The compound was also characterized by FT-IR,1H NMR, and MS spectroscopy techniques. Density functional theory (DFT) B3LYP was employed to optimize structure and calculate frequencies of TNTM. The calculated geometrical parameters are close to the corresponding experimental ones. The thermal decomposition of TNTM was investigated by DSC and TG–DTG methods at heating rate 10°C/min. The results indicate that TNTM has high heat-resistant ability.1
引用
收藏
页码：351 / 357
页数：6
相关论文
共 50 条
  • [31] STRUCTURE OF 2,4,6-TRINITRO-9-OXO-2,4,6,8-TETRAAZA-1-DECANYL ACETATE
    GILARDI, R
    GEORGE, C
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1989, 45 : 1262 - 1263
  • [32] Spectroscopic and Thermal Studies on 2,4,6-trinitro Toluene (TNT)
    P. S. Makashir
    E. M. Kurian
    Journal of Thermal Analysis and Calorimetry, 1999, 55 : 173 - 185
  • [33] Synthesis of 2,4,6-trinitro-2,4,6-triazacyclohexanone (Keto-RDX) from DPT and PHX
    Zhang, YJ
    Xie, CP
    PROCEEDINGS OF CHINA-JAPAN SEMINAR ON ENERGETIC MATERIALS, SAFETY AND ENVIRONMENT, 1996, : 63 - 69
  • [34] Structural transformation and absorption properties of 2,4,6-Trinitro-2,4,6-triazacyclohexanone under high pressures
    Ma, Peng
    Wang, Jinpeng
    Zhai, Diandian
    Hao, Lina
    Ma, Congming
    Pan, Yong
    Jiang, Juncheng
    Zhu, Shunguan
    JOURNAL OF MOLECULAR STRUCTURE, 2019, 1196 : 691 - 698
  • [35] Reactions of cytosine, thymine and uracil toward 2,4,6-trinitro-chlorobenzene
    Boga, C
    Bonamartini, AC
    Forlani, L
    Modarelli, V
    Righi, L
    Sgarabotto, P
    JOURNAL OF CHEMICAL RESEARCH-S, 2001, (12): : 505 - 507
  • [36] THERMAL-DECOMPOSITION MECHANISMS OF LEAD 2,4,6-TRINITRO-1,3-DIHYDROXY-BENZENE, BARIUM 2,4,6-TRINITRO-1,3-DIHYDROXY-BENZENE AND THEIR COMPLEX
    DU, ZY
    HU, RZ
    WANG, JS
    WU, CY
    LIANG, YJ
    PROCEEDINGS OF THE INTERNATIONAL SYMPOSIUM ON PYROTECHNICS AND EXPLOSIVES, OCTOBER 12-15, 1987, BEIJING, CHINA, 1987, : 376 - 381
  • [37] MOLECULAR-STRUCTURE STUDY OF 2,4,6-TRINITRORESORCINOL
    CHEN, PC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 155 - COMP
  • [38] STRUCTURE OF 2,4,6-TRINITRO-8,10-DIPROPIONYL-2,4,6,8,10-PENTAAZABICYCLO[5.3.0]DECANE
    FLIPPENANDERSON, JL
    GEORGE, C
    GILARDI, R
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1992, 48 : 1530 - 1531
  • [39] PREPARATION AND CHARACTERIZATION OF ANTIBODIES SPECIFIC FOR 2,4,6-TRINITROPHENYL GROUP
    LITTLE, JR
    EISEN, HN
    BIOCHEMISTRY, 1966, 5 (11) : 3385 - &
  • [40] Thermochemical properties of 2,4,6-trinitro-1,3,5-triazine
    Keshavarz, Mohammad Hossein
    Syadat, Omid Ranaee
    ASIAN JOURNAL OF CHEMISTRY, 2007, 19 (02) : 965 - 969
12345