Synthesis of [Ru(II)(Tp)(Cl)(PPh3)(CH3CN)] and its reactions with selected terminal alkynes: Experimental and computational studies

Tsang Hsiu Wang, Wen Lin Huang, Li Yu Huang, Ming Che Li, Pei I. Hsiao, Yu Wen Yang, Wei Chen Sun, Yih Hsing Lo*, Chia Her Lin, Hsin Pei Chen

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


The ruthenium complex [Ru(II)(Tp)(Cl)(PPh3)(CH3CN)] (3) [Tp = hydrotris(pyrazolyl)borate] contains substitutional ligands, acetonitrile and chloride, and serves as a starting material for the synthesis of new ruthenium complexes. We found that water was also involved in reactions and formed the alkenyl ketone compound [Ru(Tp)(PPh3)(C(CH 2Ph) = CHC(O)Ph)] (4) and the acyl complex [Ru(Tp)(PPh 3)(C(O)CH2(C6H5)F)] (5). We suggest that water could be an impurity in the solvent, methanol. Methanol cannot be purified before a synthesis procedure, and water is more reactive than methanol. In order to have a better understanding on those new ruthenium complexes, the density functional theory (DFT) has been carried out at the PBE/DZVP level on the proposed mechanisms of the selected reactions. For the reactions of compound 3 with methyl propiolate or ethyl propiolate in the presence of methanol, the solvent can be the nucleophile, and a similar observation can be seen if methanol is replaced by ethanol.

Original languageEnglish
Pages (from-to)277-280
Number of pages4
JournalInorganic Chemistry Communications
Publication statusPublished - 2012 Jan


  • Acetonitrile
  • Density functional theory (DFT)
  • Methanol
  • Terminal alkynes
  • Water

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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