Intra- and Intermolecular Interactions in Some New Re (I)-tricarbonyl Complexes : Structural and Computational Studies

Intra- and intermolecular noncovalent interactions are key in many chemical and biological processes[1]. The relatively new discovered noncovalent intra- and intermolecular interactions have attracted growing research interest over the last decade. They are weak in strength but very important in internal geometry and packing arrangement. Although these interactions are widely present in biomolecules and materials, their existence are considered to be counterintuitive [2].In this study, we report synthesis and structural chemistry of some new complexes of rhenium(I) tricarbonyl, with different NN-diimine ligands in facial geometry. These new complexes were characterized by different spectroscopic methods such as FT-IR, UV-Vis, and 1H-NMRand their solid state structures were determined by single crystal X-ray diffraction. Herein, we are going to investigate the presence of such controversial interaction in synthesized complexes. Further computational calculations for pursuing such interactions with their energy will be done by natural bond orbital (NBO) program.