摘要
The mechanism of Rh（Ⅱ） carbene S-H insertion into H2S in gas phase has been studied by B3LYP functional. Calculation results showed that the Rh（Ⅱ） carbene S-H insertion into H2S took only stepwise channels and no concerted channels had been located, which was different from the Rh（Ⅱ） carbene C-H and O-H insertions.
The mechanism of Rh（Ⅱ） carbene S-H insertion into H2S in gas phase has been studied by B3LYP functional. Calculation results showed that the Rh（Ⅱ） carbene S-H insertion into H2S took only stepwise channels and no concerted channels had been located, which was different from the Rh（Ⅱ） carbene C-H and O-H insertions.
