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首页> 外文期刊>The Open Crystallography Journal >Two New Supramolecular Compounds that Involve Trans-1,2-bis(4-pyridyl)ethylene (bpe), Barbituric Acid and Fe(II) ions
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Two New Supramolecular Compounds that Involve Trans-1,2-bis(4-pyridyl)ethylene (bpe), Barbituric Acid and Fe(II) ions

机译：涉及反式1,2-双（4-吡啶基）乙烯（bpe），巴比妥酸和Fe（II）离子的两种新的超分子化合物

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In this study, the synthesis, spectroscopic properties (infrared and Raman) and crystal structures of two newcompounds named (H2bpe)B2.2H2O (1) and [Fe(bpe)(H2O)4]B2·4H2O (2) have been reported, where bpe is trans-1,2-bis(4-pyridil)-ethylene, H2bpe is protonated bpe and B- is the barbiturate anion. For both complexes, we observed thepresence of supramolecular interactions, such as electrostatic, hydrogen bonding and π-stacking interactions. Compound 1 crystallised in a triclinic system with the space group P-1, which was generated by cationic and anionic units formed by protonated bpe, the barbiturate anion and water molecules. These molecules interacted through weak intermolecular interactions and were responsible for the crystalline stability of the synthesised compounds. For compound 2, an orthorhombiccrystal system was observed with a Pbcn space group. In this crystal, the metallic site adopted a distorted octahedral geometrythat was coordinated by two pyridine nitrogen atoms and four oxygen atoms from coordinated water molecules. The three-dimensional arrangement of the structure consisted of one covalent one-dimensional linear cationic[Fe(bpe)(H2O)4]2+ chain, which interacts by forming hydrogen-bonding, π-stacking and electrostatic interactions with barbiturateanions and water molecules that were trapped in the crystal. The vibrational spectra of the two compounds werevery similar despite the different crystalline arrangements that were adopted by the two structures. In the infrared spectra,two intense bands at 1684 and 1630 cm-1 were observed and assigned to the CO stretching (νCO) of the barbiturate anionand νC=C of the bpe ligand, respectively. In the Raman spectra of the compounds, the most important bands were attributedto the bpe ligand at 1629 and 1006 cm-1, which were assigned to the νC=C and νring, respectively. The presence ofthe barbiturate anion was confirmed by the presence of a band of low intensity located at 680 cm-1 and was assigned as thering-breathing mode.
机译：在这项研究中，已经报道了两种名为（H2bpe）B2.2H2O（1）和[Fe（bpe）（H2O）4] B2·4H2O（2）的新化合物的合成，光谱性质（红外和拉曼光谱）和晶体结构，其中bpe是反式1,2-双（4-吡啶）-乙烯，H2bpe是质子化的bpe，B-是巴比妥酸根阴离子。对于这两种配合物，我们观察到了超分子相互作用的存在，例如静电，氢键和π-堆积相互作用。化合物1在三斜晶系系统中具有空间群P-1结晶，该空间群是由质子化bpe，巴比妥酸盐阴离子和水分子形成的阳离子和阴离子单元生成的。这些分子通过弱分子间相互作用而相互作用，并负责合成化合物的晶体稳定性。对于化合物2，观察到具有Pbcn空间基团的正交晶体系统。在该晶体中，金属位点采用了扭曲的八面体几何形状，该几何形状由配位水分子中的两个吡啶氮原子和四个氧原子配位。该结构的三维排列由一条共价的一维线性阳离子[Fe（bpe）（H2O）4] 2+链组成，该链通过与巴比妥酸根阴离子和水分子形成氢键，π堆积和静电相互作用而相互作用被困在水晶中。尽管两种结构采用不同的晶体排列，但两种化合物的振动光谱非常相似。在红外光谱中，在1684和1630 cm-1处观察到两个强带，分别对应于巴比妥酸根阴离子的CO拉伸（νCO）和bpe配体的νC= C。在化合物的拉曼光谱中，最重要的谱带归因于bpe配体在1629和1006 cm-1处，分别分配给νC= C和νring。巴比妥酸根阴离子的存在通过位于680 cm-1处的低强度带的存在得以确认，并被指定为环吸呼吸模式。

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