Weak interactions in chain polymers [M(mu-X)2L2]infinity (M = Zn, Cd; X = Cl, Br; L = substituted pyridine)--an electron density study.
Weak interactions in chain polymers [M(mu-X)2L2]infinity (M = Zn, Cd; X = Cl, Br; L = substituted pyridine)--an electron density study.
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链状聚合物 [M(mu-X)2L2]infinity 中的弱相互作用（M = Zn、Cd；X = Cl、Br；L = 取代的吡啶）——电子密度研究。
DOI：
10.1107/s0108768109028626
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
U. Englert
中科院分区：
文献类型：
--
作者：
Ruimin Wang;C. Lehmann;U. Englert
本文用高分辨X射线衍射数据（sin θ/λ> 1.1 A（-1））获得了五种链状聚合物[M（mu-X）_2（py）_2]（M = Zn，Cd; X = Cl，Br; py = 3，5-取代吡啶）晶体中电子密度分布的实验数据。Bader的“分子中的原子”方法的拓扑分析不仅证实了化学上合理的和可能的强共价键和配位键的（3，-1）临界点的存在，而且还证实了四种不同的次级相互作用，这些次级相互作用预计将在稳定聚合物结构中发挥作用，这对于Zn作为金属中心是不寻常的。这些较弱的接触包括链内和链间的C-H…X-M氢键和C-X...另一方面，X-C卤素间接触。根据实验电子密度研究，非经典氢键与（3，-1）临界点的电子密度比卤键高，因此是相对于链内和链间接触的主要相互作用。
The experimental electron-density distributions in crystals of five chain polymers [M(mu-X)2(py)2] (M = Zn, Cd; X = Cl, Br; py = 3,5-substituted pyridine) have been obtained from high-resolution X-ray diffraction data sets (sin theta/lambda > 1.1 A(-1)) at 100 K. Topological analyses following Bader's 'Atoms in Molecules' approach not only confirmed the existence of (3, -1) critical points for the chemically reasonable and presumably strong covalent and coordinative bonds, but also for four different secondary interactions which are expected to play a role in stabilizing the polymeric structures which are unusual for Zn as the metal center. These weaker contacts comprise intra- and inter-strand C-H...X-M hydrogen bonds on the one hand and C-X...X-C interhalogen contacts on the other hand. According to the experimental electron-density studies, the non-classical hydrogen bonds are associated with higher electron density in the (3, -1) critical points than the halogen bonds and hence are the dominant interactions both with respect to intra- and inter-chain contacts.
DOI：
10.1107/s0108767394005726
发表时间：
1995-01-01
期刊：
ACTA CRYSTALLOGRAPHICA SECTION A
影响因子：
--
作者：
BLESSING, RH
通讯作者：
BLESSING, RH