Synthesis and characterization of ethylenediaminium nitrophenolate
文献类型：期刊论文
| 作者 | Liu, Long1; He, Chunlin2; Wang, Hui1; Li, Zengxi1; Chang, Song2; Sun, Jian2; Zhang, Xiangping2; Zhang, Suojiang2 |
| 刊名 | JOURNAL OF MOLECULAR STRUCTURE
 |
| 出版日期 | 2011-03-15 |
| 卷号 | 989期号:1-3页码:136-143 |
| 关键词 | Ethylenediaminium Nitrophenolate Crystal structure Hydrogen bond |
| ISSN号 | 0022-2860 |
| 通讯作者 | Li, ZX |
| 英文摘要 | A series of organic salts based on ethylenediaminium divalent cation, [C(2)H(10)N(2)]X(2) (where X = 2-nitrophenolate (1), 3-nitrophenolate (2), 4-nitrophenolate (3), 2,4-dinitrophenolate (4), 2,6-dinitrophenolate (5) and 2,4,6-trinitrophenolate (6) respectively) have been prepared. Their structures were characterized and confirmed by (1)H and (13)C NMR spectroscopy, IR spectroscopy, elemental analysis and ESI-MS. Additionally, crystal structures of compounds 2-nitrophenolate and 4-nitrophenolate were determined with X-ray single crystal diffraction. Complex salt 1 crystallizes in the orthorhombic Pccn space group with unit cell parameters: a = 26.047(5) angstrom, b = 6.8351(14) angstrom, c = 8.4637(17) A, V = 1506.8 angstrom(3), Z = 4. Complex salt 3 crystallizes in the monoclinic C2/c space group with additional one free water molecule being included. Its unit cell parameters are a = 11.328(2) angstrom, b = 7.2623(15) angstrom, c = 20.038(4) angstrom, beta = 93.58(3)degrees, V = 1615.2(6) angstrom(3), Z = 4. Compounds 1 and 3 have strong 3D hydrogen-bonded network, which play a major role in stabilizing the crystal lattice. Distinct cationic and anionic layers can also be seen in the (0 1 0) plane. The IR and Raman spectra of 2-nitrophenolate and 4-nitrophenolate were interpreted and the assignments of bands to the corresponding vibrations were proposed based on the data calculated by the B3LYP/6-311G(d, p) level. Finally, the influence of molecular structure on both the densities and thermal stabilities of synthesized compounds have been discussed. (c) 2011 Elsevier B.V. All rights reserved. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical |
| 研究领域[WOS] | Chemistry |
| 关键词[WOS] | 2ND SPHERE COORDINATION ; ANION-BINDING SYNTHESIS ; NITROGEN-RICH SALTS ; X-RAY-STRUCTURE ; SINGLE-CRYSTAL ; ENERGETIC SALTS ; IONIC LIQUIDS ; HYDROGEN-BOND ; GROWTH ; SPECTRA |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000288832800018 |
| 公开日期 | 2013-11-07 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/5073]  |
| 专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
| 作者单位 | 1.Chinese Acad Sci, Grad Univ, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Long,He, Chunlin,Wang, Hui,et al. Synthesis and characterization of ethylenediaminium nitrophenolate[J]. JOURNAL OF MOLECULAR STRUCTURE,2011,989(1-3):136-143. |
| APA | Liu, Long.,He, Chunlin.,Wang, Hui.,Li, Zengxi.,Chang, Song.,...&Zhang, Suojiang.(2011).Synthesis and characterization of ethylenediaminium nitrophenolate.JOURNAL OF MOLECULAR STRUCTURE,989(1-3),136-143. |
| MLA | Liu, Long,et al."Synthesis and characterization of ethylenediaminium nitrophenolate".JOURNAL OF MOLECULAR STRUCTURE 989.1-3(2011):136-143. |
入库方式： OAI收割
来源：过程工程研究所
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