During diamond growth, surface vacancies are formed and diamond grows by adding carbon-carrying species to these vacancies. In the present investigation, the correlation between adsorption energies and accompanying partial electron transfer in the newly formed bond has been studied by using quantum mechanical calculations. Important CVD growth species were then allowed to adsorb on a H- or F-terminated diamond (111) surface. Correlations were obtained for different types of adsorbates. At an increase in electron transfer from a hydrocarbon adsorbate to the surface an increased bond strength was found. For the situation with fluorine-containing adsorbates, an increase in bond strength was associated with an increased partial electron transfer toward the adsorbate, i.e., the partial electron transfer occurs in the opposite direction as compared to the hydrocarbon adsorbates.