Synthesis, Characterization and Electronic Structure of Dirhenadehyro[12]annulene Complexes.,ChemPlusChem

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Synthesis, Characterization and Electronic Structure of Dirhenadehyro[12]annulene Complexes.
ChemPlusChem ( IF 3.0 ) Pub Date : 2018-12-13 , DOI: 10.1002/cplu.201800537
Shaohui Zheng ₁ , Zhenwei Chu ₁ , Ka-Ho Lee ₂ , Qin Lin ₁ , Yucen Li ₁ , Guomei He ₁ , Jiangxi Chen ₁ , Guochen Jia ₂

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Treatment of the SiMe3 -protected dichloro-rhenium carbyne complexes Re{≡CCH=C(R)C≡CSiMe3 }Cl2 (PMe2 Ph)3 (R = CMe3 , 1-adamantyl) with CsF in methanol directly afforded the 12-membered metallacycles {ReCl(PMe2 Ph)3 }2 {≡CCH=C(R)C≡C-}2 . The electronic structure of the metallacycle was investigated by density functional calculations. The UV-vis spectrum of the metallacycle shows a red-shifted band compared to that of the starting dichlorocarbyne complex. Treatment of {ReCl(PMe2 Ph)3 }2 {≡CCH=C(CMe3 )C≡C-}2 with HCl produced the dichloro-rhenium carbyne complex Re{≡CCH=C(CMe3 )C≡CH}Cl2 (PMe2 Ph)3 , which is consistent with the electronic structure of the 12-membered metallacycles.

中文翻译：

Dirhenadehyroro [12] annulene配合物的合成，表征和电子结构。

用甲醇中的CsF处理SiMe3保护的二氯-碳炔络合物Re {≡CCH= C（R）C≡CSiMe3} Cl2（PMe2 Ph）3（R = CMe3，1-金刚烷基）直接提供了12元金属环{ReCl（PMe2 Ph）3} 2 {≡CCH= C（R）C≡C-} 2。通过密度泛函计算研究了金属环的电子结构。与起始二氯卡宾配合物相比，金属环的紫外可见光谱显示出红移的谱带。用盐酸处理{ReCl（PMe2 Ph）3} 2 {≡CCH= C（CMe3）C≡C-} 2产生二氯-卡宾络合物Re {≡CCH= C（CMe3）C≡CH} Cl2（PMe2 Ph）3，与十二元金属环的电子结构一致。

更新日期：2018-12-13

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