Saiful, Islam published the artcileLigand Rotation Induced Oxidation State Change and Spin Appearance of the Bis(phthalocyaninato)cerium (CePc2) Molecule on the Au(111) Surface, Quality Control of 91-15-6, the main research area is phthalocyaninatocerium gold surface structure mol rotation.
We demonstrate that a nonmagnetic mol. is changed into magnetic when its internal structure is rotated by forming an ordered film on a metal surface. We used a double-decker complex, bis(phthalocyaninato)cerium (CePc2), where the valence of the Ce atom changes between +3 and +4 with a small energy barrier. CePc2 is nonmagnetic in bulk and becomes magnetic in the monolayer film on Au(111). The intra-mol. structure and the magnetic property are revealed using scanning tunneling microscopy/spectroscopy. We attribute the mechanism to a change of the rotational angle (θ) between the upper and lower Pc ligands, driven by the steric repulsive force originating from forming an almost square lattice on Au(111). The θ changes from θ = 45° of the bulk value into θ = 0° for the film. GGA + U calculation indicates that the change from θ = 45° to θ = 0° causes the Ce valence change from the nonmagnetic +4 state into the magnetic +3 state.
Journal of Physical Chemistry C published new progress about Force, steric. 91-15-6 belongs to class nitriles-buliding-blocks, name is Phthalonitrile, and the molecular formula is C8H4N2, Quality Control of 91-15-6.
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts