Molybdenum Tricarbonyl Complexes Supported by Linear PNP Ligands: Influence of <i>P</i>‐ and <i>N</i>‐Substituents on Relative Stability, Stereoisomerism and on the Activation of Small Molecules

Abstract Series of linear tridentate PN Ph P R ‐ligands (R=Me, Et, Pln, Ph, Cyp, i Pr, Cy, t Bu) and molybdenum tricarbonyl complexes [Mo(CO) 3 ] (R=Ph, Cy,) were synthesized characterized using NMR‐, IR‐, Raman spectroscopy as well X‐ray crystallography. The influence the different phosphine donor groups ligands on bonding activation CO is investigated. Importantly, all are found to adopt a fac geometry, both in solution solid state. This contrast analogous supported by H ligands. DFT calculations reveal that phenyl ring at central amine function cause preferred hindering isomerization mer geometry.