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化学学报
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化学学报 ›› 2006, Vol. 64 ›› Issue (18): 1904-1910. 上一篇    下一篇

研究论文

两种反式-9,10-二氢-9,10-二乙基蒽-11,12-二羧酸为主体的氢键包合物的合成与晶体结构

杨媛1, 张锦楠2, 罗素蓉1,3, 宋晓红2, 李奇*,1   

  1. (1北京师范大学化学学院 北京 100875)
    (2首都医科大学化学生物学与药学院 北京 100054)
    (3北京青年政治学院附属中学 北京 100015)
  • 投稿日期:2006-02-06 修回日期:2006-04-24 发布日期:2006-09-28
  • 通讯作者: 李奇

Synthesis and Crystal Structure of Inclusion Compounds: trans-9,10-Dihydro-9,10-ethanoanthracene-11,12-dicarboxylic Acid with Boric Acid and Tetrabutylammonium Salt

YANG Yuan1; ZHANG Jin-Nan2; LUO Su-Rong1,3; SONG Xiao-Hong2; LI Qi*,1   

  1. (1 College of Chemistry, Beijing Normal University, Beijing 100875)
    (2 School of Chemical Biology and Pharmaceutical Sciences, Capital University of Medical Sciences, Beijing 100054)
    (3 The High School Affiliated to Beijing Youth Politics College, Beijing 100015)
  • Received:2006-02-06 Revised:2006-04-24 Published:2006-09-28
  • Contact: LI Qi

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被引次数

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合成了反式-9,10-二氢-9,10-二乙基蒽-11,12-二羧酸(EADA)及其与硼酸共同构建主体晶格的正四丁基铵阳离子管状包合物(n-C4H9)4N＋C18H13O4－•B(OH)3 (1)和 (n-C4H9)4N＋C18H13O4－ (2), 并通过单晶Ｘ射线衍射法对其进行了晶体结构测定. 结果表明, 晶体1属单斜晶系, P2(1)/c空间群, 晶胞参数a＝1.5699(1) nm, b＝0.9955(6) nm, c＝2.2933(1) nm, b＝109.962(3)°, Z＝4, R1＝0.0434, wR＝0.0759; 晶体2属单斜晶系, C2/c空间群, 晶胞参数a＝1.4005(3) nm, b＝1.2821(2) nm, c＝1.7657(3) nm, β＝100.388(1)°, Z＝4, R1＝0.0584, wR＝0.0966. 在晶体1中, EADA阴离子和硼酸分子的氢键四聚体链交错平行排列, 生成具有矩形截面的管道式主体晶格, 每个管道内包含了两列规则排列的正四丁基铵阳离子(n-C4H9)4N＋. 在晶体2中, 相互独立的EADA阴离子交错排列形成类蜂巢形截面的管道式主体晶格, 正四丁基铵阳离子形成Z形长列被包合在这些管道里, 阳离子的烃链穿插在管道壁中.

关键词: 反式-9,10-二氢-9,10-二乙基蒽-11,12-二羧酸, 硼酸, 正四丁基铵, 包合物, 晶体结构

New inclusion complexes (n-C4H9)4N＋C18H13O4－•B(OH)3 (1) and (n-C4H9)4N＋C18H13O4－ (2) have been prepared and characterized by X-ray crystallography. Crystal data: compound 1, monoclinic P2(1)/c, a＝1.5699(1) nm, b＝0.9955(6) nm, c＝2.2933(1) nm, β＝109.962(3)°, Z＝4, and R1＝0.0434, wR＝0.0759; compound 2, monoclinic C2/c, a＝1.4005(3) nm, b＝1.2821(2) nm, c＝1.7657(3) nm, β＝100.388(1)°, Z＝4, and R1＝0.0584, wR＝0.0966. In the crystal structure of 1, the tetramers formed by two trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid (EADA) anions and two boric acid molecules are connected through O—H…O hydrogen bonds to generate a channel type host lattice. The tetra-n-butylammonium cations are stacked in double columns within each channel with cross-sectional size of about 2.30 nm×0.93 nm. In the crystal structure of 2, similar honeycomb host lattices with big size are also formed along the [101] direction by three-dimensional accumulation of EADA anions. The tetra-n-butylammonium cations are accommodated in a zigzag fashion within each channel.

Key words: trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid, boric acid, tetrabutylammonium salt, inclusion compound, crystal structure