寻找具有改进细胞毒性活性的二茂钛配合物：双(η-环戊二烯基)二氟钛(IV)的合成、X 射线结构和光谱研究。

In Search for Titanocene Complexes with Improved Cytotoxic Activity: Synthesis, X-Ray Structure, and Spectroscopic Study of Bis(eta-cyclopentadienyl)difluorotitanium(IV).

机构信息

Department of Chemistry, University of Patras, 26504 Patras, Greece.

出版信息

Bioinorg Chem Appl. 2010;2010. doi: 10.1155/2010/914580. Epub 2010 Jun 23.

DOI:10.1155/2010/914580

PMID:20689714

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2905951/

Abstract

The 1 : 2 reaction of [Ti(eta(5)-C(5)H(5))(2)Cl(2)] and AgF in CHCl(3)/H(2)O yielded the fluoro analog [Ti(eta(5)-C(5)H(5))(2)F(2)] (1) in almost quantitative yield (C(5)H(5) is the cyclopentadienyl group). The coordination about the Ti(IV) atom formed by two fluoro ligands and the centroids of the cyclopentadienyl rings is distorted tetrahedral. The compound crystallizes in the orthorhombic space group C2cm. The lattice constants are a = 5.9055(4), b = 10.3021(5), c = 14.2619(9) A, and alpha = beta = gamma = 90 degrees . The complex has been characterized by elemental analyses and spectroscopic (IR, (1)H NMR) data. A structural comparison of the four members of the [Ti(eta(5)-C(5)H(5))(2)X(2)] family of complexes (X = F, Cl, Br, I) is attempted.

摘要

[Ti(eta(5)-C(5)H(5))(2)Cl(2)]与 AgF 在 CHCl(3)/H(2)O 中的 1:2 反应几乎定量地得到了氟代类似物[Ti(eta(5)-C(5)H(5))(2)F(2)]（1）（C(5)H(5)为环戊二烯基）。两个氟配体和环戊二烯基环的质心围绕 Ti(IV)原子的配位形成扭曲的四面体形。该化合物在正交晶系 C2cm 空间群中结晶。晶格常数为 a = 5.9055(4)，b = 10.3021(5)，c = 14.2619(9) A，α = β = γ = 90 度。该配合物通过元素分析和光谱（IR、（1）H NMR）数据进行了表征。尝试对[Ti(eta(5)-C(5)H(5))(2)X(2)]系列配合物（X = F、Cl、Br、I）的四个成员进行结构比较。