Hydrogen chemisorption, theoretical approaches

A series of papers by Shustorovi ch(63) and/or Baetzo1d(64) summarized in a recent article(65) have addressed the problem of chemisorption on metal surfaces in terms of electron accepting and donating interactions. Saillard and Hoffmann (66) developed qualitatively identical pictures of these interactions but starting from fragment orbital type analysis. These papers are only a few of the theoretical discussions that consider hydrogen activation, however we will use their approach because it address the problem in a fashion that can interpolate between the organometallic cluster and the bulk. 

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