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Synthesis, Characterization and Electronic Structure of Dirhenadehyro[12]annulene Complexes
Author(s) -
Zheng Shaohui,
Chu Zhenwei,
Lee KaHo,
Lin Qin,
Li Yucen,
He Guomei,
Chen Jiangxi,
Jia Guochen
Publication year - 2019
Publication title -
chempluschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.801
H-Index - 61
ISSN - 2192-6506
DOI - 10.1002/cplu.201800537
Subject(s) - carbyne , rhenium , annulene , chemistry , metallacycle , electronic structure , stereochemistry , crystallography , medicinal chemistry , carbene , computational chemistry , x ray crystallography , inorganic chemistry , organic chemistry , catalysis , physics , diffraction , optics
Treatment of the SiMe 3 ‐protected dichloro‐rhenium carbyne complexes Re{≡CCH=C(R)C≡CSiMe 3 }Cl 2 (PMe 2 Ph) 3 (R = CMe 3 , 1‐adamantyl) with CsF in methanol directly afforded the 12‐membered metallacycles {ReCl(PMe 2 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(PMe 2 Ph) 3 } 2 {≡CCH=C(CMe 3 )C≡C−} 2 with HCl produced the dichloro‐rhenium carbyne complex Re{≡CCH=C(CMe 3 )C≡CH}Cl 2 (PMe 2 Ph) 3 , which is consistent with the electronic structure of the 12‐membered metallacycles.