Energy Profile of Proton Transfer to a Hydride Ligand in Solution

Generally, the formation of hydrogen-bonded complexes is regarded as a very fast, diffusion-controlled process with no energy barrier. On the other hand, even ultrafast molecular reorientations in solution require energy for reorganization of 

Similar kinetic and thermodynamic data, obtained for transformations of OsH2(PP3) to the dihydrogen complex [OsH(H2)(PP3)] [40] and for Cp Ru(dppe)H to the [Cp Ru(dppe)(H2)] [41] in the presence of various acids, have resulted in the same energy profile of the reactions. 

ENERGY, INTERMEDIATES, AND TRANSITION STATES IN INTERMOLECULAR PROTON TRANSEER TO HYDRIDIC HYDROGENS THEORETICAL STUDIES 

Modem computational chemistry provides a detailed analysis of the potential energy surface of reactants when they are transformed to products of a reaction. This analysis, the most important advantage available in the theoretical 

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