Dihydrogen binding

The comparison with the dihydrogen binding energy of the methonium ion is obvious the more stable the cation, the smaller the binding energy to a hydrogen molecule. This applies to the itmer and outer complexes. Thus, one can extrapolate that even more stable cations, like the isopropyl and t-butyl cations, do not benefit from an association with a neutral a-electron donor. 

Electron densiity, in lead triacetate arylations, 9, 397 Electron donor number, transition metal complex ligands and unchanging coordination number, 1, 12 and variable coordination number, 1, 12 Electron energy loss spectroscopy, dihydrogen binding on surfaces, 1, 682 Electronic effects... 

In the identification of dihydrogen binding sites it is advantageous to determine how the parameters of the INS spectra vary with the dihydrogen loading and temperature and we now summarise recent interpretations of such observations. 

The fi S spectra of dihydrogen in these materials provide further examples of the utility of INS for studying dihydrogen binding in micro-or nanoporous materials. 

Figure 5 shows a similar mechanism proposed [29] by Dole et al, in which dihydrogen binds to the active site and is heterolytically cleaved to produce a bridging hydride and protonated cysteinate ligand. 

This is also a feature of the mechanism in Figure 6, whereas in the mechanisms of Figures 4 and 5 cysteinate and cyano ligands are merely spectators. The DFT calculations on the Fe-only hydrogenase show that dihydrogen binds weakly to the iron remote from the Fe4S4 cluster. When two electron reduced, a mechanistically significant barrierless transfer of one H atom from Fe-Hj to form S-H occurs. 

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