2,5-富伦酸与2,2'-联吡啶构建的两种新型铜(II)配位聚合物：合成与晶体结构研究

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本文报道了2014年发表在《结构化学》(Chinese Journal of Structural Chemistry)第33卷第1期上的一项研究，主要关注于两个新的铜(II)配位聚合物的合成与晶体结构。这两款化合物由2,5- furandicarboxylic acid (H2FDA) 和 2,2'- bipyridine (BPY) 作为关键构建单元构成，分别是 [Cu(FDA)(BPY)(H2O)]n (化合物1) 和 {[Cu(FDA)(BPY)(H2O)]・2H2O}n (化合物2)。合成及表征方法上，研究人员利用单晶X射线衍射技术进行了结构解析，并结合元素分析和红外光谱等手段，对新化合物的化学组成、晶体结构进行了详尽的研究。化合物1具有单斜晶系，空间群为P21/c，其晶体参数包括：a = 7.5915(15) Å, b = 8.4050(17) Å, c = 24.204(6) Å, β = 99.05(3)°, 晶体体积 V = 1525.1(6) Å³，密度 Dc = 1.706 g/cm³。化合物的分子式为C16H12CuN2O6，摩尔质量 Mr = 391.82 g/mol，F(000)指数为796，MoKα辐射下的折射率 µ = 1.470 m。化合物2则显示出水合形式，每n个单元中含有两个水分子，这表明它在晶体结构中可能具有不同的形态和稳定性。这类铜(II)配合物的研究对于理解金属-有机骨架材料的性质和潜在应用至关重要，因为它们的结构特性直接影响到其在催化、电化学、光物理以及药物传递等领域中的性能。通过这篇论文，读者可以了解到配位聚合物的设计原则，如何通过选择合适的配体和金属离子来调控其三维结构，以及如何通过晶体学数据来解析和预测这些复杂多孔材料的功能。同时，这也是对配位化学基础理论的实证验证，有助于推动相关领域科研工作的深入发展。

33 卷 1 期结构化学（JIEGOU HUAXUE） Vol. 33, No. 1

2014. 1 Chinese J. Struct. Chem. 97─103

Two New Cu(II) Coordination Polymers

Based on 2,5-Furandicarboxylic Acid and

2,2΄-bipyridine: Synthesis and Crystal Structure

①

WANG Hao

WEN Rong-Mei

CHANG Ze

a②

WANG Qian

LI Nan

KONG Ling-Yu

(Department of Chemistry, TKL of Metal- and Molecule-based Material

Chemistry, Key Laboratory of Advanced Energy Materials Chemistry

(Ministry of Education), and Synergetic Innovation Center of Chemical

Science and Engineering (Tianjin), Nankai University, Tianjin 300071, China)

(Tianjin Institute of Pharmaceutical Sciences, Tianjin 300020, China)

ABSTRACT Two new Cu(II) coordination polymers, [Cu(FDA)(BPY)(H

O)]

(1) and

{[Cu(FDA)(BPY)(H

O)]·2H

(2) (H

FDA = 2,5-furandicarboxylic acid, BPY = 2,2΄-bipyridine),

have been synthesized and structurally characterized by single-crystal X-ray diffraction as well as

elemental analysis and IR. Compound 1 crystallizes in monoclinic, space group P2

/c, with a =

7.5915(15), b = 8.4050(17), c = 24.204(6) Å, β = 99.05(3)°, V = 1525.1(6) Å

, D

= 1.706 g/cm

CuN

, M

= 391.82, F(000) = 796, µ(MoKα) = 1.470 mm

–1

, Z = 4, R = 0.0633 and wR =

0.1059 for 2389 observed reflections (I > 2σ(I)), R = 0.0738, and wR = 0.1098 for all data. Complex

2 belongs to triclinic space group P

with a = 8.8660(18), b = 8.9112(18), c = 12.525(3) Å, α =

88.41(3), β = 69.38(3), γ = 66.95(3)°, V = 845.2(3) Å

, D

= 1.681 g/cm

, C

CuN

, M

427.85, F(000) = 438, µ(MoKα) = 1.342 mm

–1

, Z = 2, R = 0.0290 and wR = 0.0690 for 2767

observed reflections (I > 2σ(I)), R = 0.0329 and wR = 0.0706 for all data. Complexes 1 and 2 are

both coordination polymers with one-dimensional chain structures bridged by the protonated FDA

ligands, which are assembled into three-dimensional supramolecular structures through hydrogen

bonding interactions and π-π packing interactions between the chains.

Keywords: 2,5-furandicarboxylic acid, copper complex, crystal structure, 2,2΄-bipyridine

1 INTRODUCTION

The rational design and construction of coordina-

tion polymers have been paid increasing attention

due to their potential applications in magnetism

[1]

fluorescence

[2]

, catalysis

[3]

, drug delivery

[4]

, gas

storage and separation

[5]

and so on. The choice of

organic linker is critical for building coordination

polymers. Polycarboxylate linkers and N-containing

ligands are widely popular for constructing new

architectures

[6]

. Among various polycarboxylate

linkers, 2,5-furandicarboxylic acid (H

FDA) is

considered as an ideal aromatic linker choice to

build new networks because of the variable

coordination modes of carboxylate groups and the

rigidity of furan ring

[7]

. On the other hand, among

Received 17 May 2013; accepted 19 August 2013 (CCDC 937490 and 937491)

① Supported by the National Natural Science Foundation of China (21031002 and 51073079), the Fundamental Research Funds for the

Central Universities and the Application and Research in Cutting-edge Technologies in Tianjin Technology Projects in General (K11JCYBJC11100)

② Corresponding author. Chang Ze, majoring in coordination chemistry. E-mail: changze@nankai.edu.cn

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