Supramolecular assembly through intermolecular n → π* interactions through a coordinated perrhenate formed via superoxidation of Re(i) to Re(vii) in the formation of substituted Re(CO)₃ complexes bearing Diimine ligands

Abstract

We report the structural, spectroscopic, and computational studies of two new Re(I) tricarbonyl complexes bearing 2,3,6,7-tetraphenyl-1,4,5,8-tetraazaphenanthrene (Ph4TAP) and 4,5-diazafluoren-9-one (Dafone) having a coordinated perrhenate group obtained via in situ superoxidation...

Synthesis and Characterization of Novel [2 + 1] Tricarbonyl Rhenium Complexes with the Hydrophilic Phosphine Ligands PTA and CAP

“…In addition to commonly observed hydrogen bond, C-H⋯ π ( Figure 3 , Table 5 ), and π ⋯ π interactions [the distance between neighboring centrosymmetrically related quinaldic ligands is 3.467(8) Å, symmetry code (v): − x , 1 − y , 1 − z , Figure 3 ], the lp(O)- π type interactions between carbonyls coordinated to transition metals [ 39 , 57 ] are also observed. The C 3 ≡O 3 carbonyls are involved in antiparallel CO⋯CO interactions [ 57 ], C 3 ⋯O 3 vi distance [=C 3 vi ∙∙∙O 3 , symmetry code (vi): − x ,− y , 1 − z ] equals to 3.104(5)Å, which is less than the sum (=3.22 Å) of van der Waals(vdW) of C (=1.7 Å) and O (=1.52) atoms] and M-C∙∙∙CO type with the distance O 5 ⋯C 1 i and the angle O 5 -C 1 i -O 1 i (symmetry code(i): x , 0.5−y, 0.5 + z ) equal to 3.157(4) Å and 70.8(2)° which are close to the usual one [ 39 ]. Through these intermolecular interactions, a layer of complexes is formed parallel to the (100) crystallographic plane (Figure S1a).…”