We have used the state-of-the-art computational chemistry techniques to identify adhesion promoting layer materials that provide good adhesion of copper seed layer to the adhesion promoting layer and the adhesion promoting layer to the barrier layer. We have identified factors responsible for providing good adhesion of copper layer on various metallic surfaces and circumstances under which agglomeration of copper film occur. Several promising adhesion promoting layer materials based on chromium alloys have been predicted to be able to significantly enhance the adhesion of copper films. Chromium containing complexes of a polydentate β-ketoiminate have been identified as chromium containing precursors to make the alloys with chromium.