Structure, bonding, electronic and energy aspects of a new family of early lanthanide (La, Ce and Nd) complexes with phosphoric triamides: Insights from experimental and DFT studies

A new family of isostructural early lanthanide(III) complexes (LnXPA) of the general formula Ln(XPA)2Cl3(solv)2, where Ln = La, Ce and Nd, XPA = (4-X-C6H4NH)P(O)(NC4H8O)2, X = H, F, Cl and Br, and solv = H2O and CH3OH, is introduced. X-ray crystallography shows that the replacement of the coordinated water by a methanol molecule may reduce the symmetry level of the unit cell from the orthorhombic crystal system and the space groupFdd2 to...