Molecular and Electronic Structures by Design: Tuning Symmetrical and Unsymmetrical Linear Trichromium Chains

摘要: The preparation, properties, and crystal structures of 12 trichromium extended metal atom chain (EMAC) compounds the type Cr3(L)4X2 (L = equatorial ligands dipyridylamide (dpa) or di-4,4‘-ethyl-2,2‘-pyridylamide (depa), X axial ligands, e.g., halide pseudohalide ions) with large variations in metal−metal distances are reported here. These complexes, which belong to a broad class fundamentally interesting trinuclear molecules over electrons may not be delocalized, pose significant theoretical experimental challenges dealt this report. Complexes strongly donating tend favor symmetrical (D4) molecular structure, while more weakly give rise unsymmetrical (C4) structures; physical properties these two classes discussed fully, important comparisons DFT model electronic made.