(2,2′-Bipyrazine-κ²N¹,N^1′)[1,2-bis(diphenylphosphanyl)methane-κP]tricarbonylrhenium(I) trifluoromethanesulfonate monohydrate

Abstract

+ cation, where Ph is a phenyl group, one CF 3 SO 3 À anion and one water molecule of hydration. The three C atoms of the facial oriented carbonyl groups, two N atoms from the bipyrazine ligand and one P atom from the (bis)diphenylphosphanylmethane ligand define a distorted octahedral coordination environment about the central Re I atom. The Re-C carbonyl bond length trans to the P atom is longer than the the two Re-C carbonyl bond lengths in the plane with the bipyrazine ligand. Hydrogenbonding interactions between the solvent water molecule and the cation, as well as weak C-HÁ Á ÁO interactions, consolidate a three-dimensional network structure. Structure descriptionWe are interested in preparing Re I complexes containing bidentate diamine ligands due to their excited state properties and determining their structures as a guide to design better photochomophores. The molecular structures of Re(diamine)-(CO) 3 X, where X = Cl, OH 2 , pyridine (py), 2,6-dimethylisocyanide (CN x ), bis(diphenylphosphinomethane (dppm) or bis(diphenylphosphinoethane (dppe), and diamine = 2,2 0 -bipyrazine (bpz), 2,2 0 -bipyridine (bpy) or 1,10-phenanthroline (phen), reveal the CO ligands lie on the face of an octahedron, the diamine ligand and two CO ligands lie in a plane and one CO ligand and the ligating atom of X are trans to one another Rillema et al., 2007;Villegas et al., 2005;Stoyanov et al., 2005;Yamamoto et al., 2008), as shown for the cation of the title compound (Fig. 1). data reportsThe cation of the title compound is best described as a distorted octahedron. The six bond lengths for the atoms bonded to Re I differ markedly and are the shortest for the C atoms of the three carbonyl groups, followed by the two N atoms of the bidentate bipyrazine ligand and the P atom of the bis(diphenylphosphinomethane) ligand (Table 1). The bond angles of the coordinating atoms trans to one another are less than 180, viz. C9-Re1-N1 = 173.94 (8) , C10-Re1-P1 = 175.79 (7) and C11-Re1-N3 = 170.78 (8) . The bond angles about P2 and the coordinating P1 atom also differ from the ideal tetrahedral angle ( Table 1).The two Re-N bond lengths in the title structure are similar to those of the following molecular entities: Re(bpz)(CO) 3 Cl [2.150 (5) The crystal packing is shown in Fig. 2. Apart from Couloumbic forces between complex cations and trifluoro- Figure 2 Packing diagram showing CÁ Á ÁO (blue) and NÁ Á ÁF (green) van der Waals interactions between the complex cation and the trifluoromethanesulfonate anion and C-OÁ Á ÁH (pink) hydrogen-bonding interactions between the carbonyl groups and the water molecules. Figure 1The molecular structure of the complex cation of the title compound with atom labels and displacement ellipsoids drawn at the 50% probability level. H atoms have been omitted for clarity. Also O-HÁ Á ÁO C and O-HÁ Á ÁN hydrogen-bonding interactions between the water molecules and a carbonyl group and the N atoms of the diamine, respectively, are present. Weak C-HÁ Á ÁO hydrogen bonds are also observed (Table 2). Synthesis an...