Synthesis and Molecular Structure of trans-[RhCl2(tBu(2)PPh)(2)]: a Rare Example of a Mononuclear Rhodium(II) Complex

Boettcher Hans-Christian; Kluefers Peter; Mies Thomas; Mayer Peter

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Synthesis and Molecular Structure of trans-[RhCl2(tBu(2)PPh)(2)]: a Rare Example of a Mononuclear Rhodium(II) Complex

机译：转蛋白的合成和分子结构（TBU（2）PPH）（2）]：单核铑（II）复合物的罕见实施例

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During the reaction of [{Rh(mu-Cl)(coe)(2)}(2)] (1) (coe = cis-cyclooctene) with the tertiary phosphane tBu(2)PPh in a nitrogen atmosphere the square planar rhodium(II) complex trans-[RhCl2(tBu(2)PPh)(2)] (2) was identified as a side product in moderate yield. 2 was synthesized in a defined manner in higher yields using a known procedure starting from [{Rh(mu-Cl)(coe)(2)}(2)], tBu(2)PPh (molar ratio Rh:P of 1:2), and N-chlorosuccinimide as the oxidizing agent in THF at room temperature. The molecular structure of 2 was determined by X-ray crystallography. Additionally, to further confirm the molecular structure of trans-[RhCl2(tBu(2)PPh)(2)], extensive DFT calculations were undertaken, which gave further evidence for its molecular structure. In contrast to the remarkable stability of 2 in the solid state, the investigation of solutions of this compound afforded hints at a dynamic equilibrium, which renders more difficult the collection of adequate NMR spectroscopic data for the title complex.

机译：在[{rh（mu-cl）（2）（2）}（2）]（2））（Coe = Cis-CycloCoCoce）的反应期间，用氮气氛中的叔膦酸TBU（2）PPH，方形平面铑（ii）复合反式 - [rhCl2（TBU（2）PPH）（2）]（2）以中等产率鉴定为副产品。使用从[rh（mu-Cl）（CoE）（2）}（2）]，TBU（2）PPH（摩尔比RH：P为1：1：1： 2），和N-氯琥珀酰亚胺作为氧化剂在室温下THF中的氧化剂。通过X射线晶体学确定2的分子结构。另外，为了进一步证实转蛋白的分子结构（TBU（2）PPH）（2）），进行了广泛的DFT计算，这为其分子结构提供了进一步的证据。相反，与固态的2中2的显着稳定性，在动态平衡下提供了该化合物的溶液的研究，其赋予标题复合物的足够NMR光谱数据的收集更加困难。

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来源
《Zeitschrift fur Anorganische und Allgemeine Chemie》 |2018年第23期|共5页
作者
Boettcher Hans-Christian; Kluefers Peter; Mies Thomas; Mayer Peter;
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作者单位

Ludwig Maximilians Univ Munchen Dept Chem Butenandtstr 5-13 D D-81377 Munich Germany;

Ludwig Maximilians Univ Munchen Dept Chem Butenandtstr 5-13 D D-81377 Munich Germany;

Ludwig Maximilians Univ Munchen Dept Chem Butenandtstr 5-13 D D-81377 Munich Germany;

Ludwig Maximilians Univ Munchen Dept Chem Butenandtstr 5-13 D D-81377 Munich Germany;

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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
Crystal structure; DFT calculations; Phosphane complexes; Rhodium;

机译：晶体结构;DFT计算;磷酸盐;铑;

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1. Synthesis and Molecular Structure of trans-[RhCl2(tBu(2)PPh)(2)]: a Rare Example of a Mononuclear Rhodium(II) Complex [J] . Boettcher Hans-Christian, Kluefers Peter, Mies Thomas, Zeitschrift fur Anorganische und Allgemeine Chemie . 2018,第23期

机译：转蛋白的合成和分子结构（TBU（2）PPH）（2）]：单核铑（II）复合物的罕见实施例
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Synthesis and Molecular Structure of trans-[RhCl2(tBu(2)PPh)(2)]: a Rare Example of a Mononuclear Rhodium(II) Complex

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