Molecular structure of fac-[Mo(CO)3(DMSO)3]

The title compound, tricarbonyltris(dimethyl sulfoxide)molybdenum, [Mo(C2H6OS)3(CO)3] or fac-[Mo(CO)3(DMSO)3], crystallizes in the triclinic space group P\overline{1} with two molecules in the unit cell. The geometry around the central molybdenum is slightly distorted octahedral and the facial isomer is found exclusively. The packing within the crystal is stabilized by three-dimensional non-classical intermolecular hydrogen-bonding contacts between individual methyl substituents of dimethyl sulfoxide and the oxygen atoms of either another dimethyl sulfoxide or a carbonyl ligand on adjacent complex molecules. The observed bond lengths in the carbonyl ligands and between carbonyl carbon atoms and molybdenum are correlated to the observed FT–IR bands for the carbonyl stretches and compared to respective metrical parameters of related complexes.

Influence of the Nucleophilic Ligand on the Reactivity of Carbonyl Rhenium(I) Complexes towards Methyl Propiolate: A Computational Chemistry Perspective

A comparative theoretical study on the reactivity of the complexes [ReY(CO)3(bipy)] (Y = NH2, NHMe, NHpTol, OH, OMe, OPh, PH2, PHMe, PMe2, PHPh, PPh2, PMePh, SH, SMe, SPh; bipy = 2,2′-bipyridine) towards methyl propiolate was carried out to analyze the influence of both the heteroatom (N, O, P, S) and the alkyl and/or aryl substituents of the Y ligand on the nature of the product obtained. The methyl substituent tends to accelerate the reactions. However, an aromatic ring bonded to N and O makes the reaction more difficult, whereas its linkage to P and S favour it. On the whole, ligands with O and S heteroatoms seem to disfavour these processes more than ligands with N and P heteroatoms, respectively. Phosphido and thiolato ligands tend to yield a coupling product with the bipy ligand, which is not the general case for hydroxo, alcoxo or amido ligands. When the Y ligand has an O/N and an H atom the most likely product is the one containing a coupling with the carbonyl ligand, which is not always obtained when Y contains P/S. Only for OMe and OPh, the product resulting from formal insertion into the Re-Y bond is the preferred.

Crystal structure of {μ2-1,2-bis[(4-methylphenylsulfanyl]-3-oxoprop-1-ene-1,3-diyl-1:2κ2 C 3:C 1}dicarbonyl-1κ2 C-[μ2-methylenebis(diphenylphosphane)-1:2κ2 P:P′](triphenylphosphane-2κP)ironplatinum(Fe—Pt), [(OC)2Fe(μ-dppm){μ-C(=O)C(4-MeC6H4SCH2)=CCH2SC6H4Me-4}Pt(PPh3)]

The title compound, [FePt(C19H18OS2)(C18H15P)(C25H22P2)(CO)2], 1, [(OC)2Fe(μ-dppm)(μ-C(=O)C(CH2SC6H4Me-4)=CCH2SC6H4Me-4)Pt(PPh3)], represents the first example of a diphosphane-bridged heterobimetallic Fe—Pt dimetallacyclopentenone complex resulting from a bimetallic activation of metal-coordinated carbonyl ligand with an internal alkyne, namely 1,4-bis(p-tolylthio)but-2-yne. The bridging μ2-C(=O)C(CH2SC6H4Me-4)=CCH2SC6H4Me-4 unit (stemming from a carbon–carbon coupling reaction between CO and the triple bond of the alkyne dithioether) forms a five-membered dimetallacyclopentenone ring, in which the C=C bond is π-coordinated to the Fe center. The latter is connected to the Pt center through a short metal–metal bond of 2.5697 (6) Å.

Ruthenacarborane–Phenanthroline Derivatives as Potential Metallodrugs

Ruthenium-based complexes have received much interest as potential metallodrugs. In this work, four RuII complexes bearing a dicarbollide moiety, a carbonyl ligand, and a phenanthroline-based ligand were synthesized and characterized, including single crystal diffraction analysis of compounds 2, 4, and 5 and an observed side product SP1. Complexes 2–5 are air and moisture stable under ambient conditions. They show excellent solubility in organic solvents, but low solubility in water.

Synthesis and Structural Studies of (h3-allyl)carbonylnitrosyl Triphenylphosphine Iron Complexes

In this paper we report the preparation of two (h3-allyl)carbonylnitrosyltriphenylphosphine iron complexes i.e.(p-allyl)carbonylnitrosyltriphenylphosphine iron (1) and (2-methyl-p-allyl) carbonylnit rosyltriphenylphosphine iron (2). These complexes (1) and (2) were prepared by reacting (p-allyl)dicarbonylnitrosyl iron and (2-methyl-p-allyl)dicarbonylnitrosyl iron with triphenylphosphine under inert atmospheric conditions. Both the resulting complexes were sufficiently and well characterized by IR, 1H NMR, 13C NMR, ESI/MS, HRMS and single crystal XRD. Triphenylphosphine ligand was found to be strong sigma donor and replaced carbonyl ligand readily. XRD revealed that the geometry of iron in both complexes is distorted octahedral.

Synthesis and Structural Studies of (h3-allyl)carbonylnitrosyl Triphenylphosphine Iron Complexes

In this paper we report the preparation of two (h3-allyl)carbonylnitrosyltriphenylphosphine iron complexes i.e.(p-allyl)carbonylnitrosyltriphenylphosphine iron (1) and (2-methyl-p-allyl) carbonylnit rosyltriphenylphosphine iron (2). These complexes (1) and (2) were prepared by reacting (p-allyl)dicarbonylnitrosyl iron and (2-methyl-p-allyl)dicarbonylnitrosyl iron with triphenylphosphine under inert atmospheric conditions. Both the resulting complexes were sufficiently and well characterized by IR, 1H NMR, 13C NMR, ESI/MS, HRMS and single crystal XRD. Triphenylphosphine ligand was found to be strong sigma donor and replaced carbonyl ligand readily. XRD revealed that the geometry of iron in both complexes is distorted octahedral.

Crystal structure of dicarbonyl[μ2-methylenebis(diphenylphosphane)-κ2 P:P′][μ2-2-(2,4,5-trimethylphenyl)-3-oxoprop-1-ene-1,3-diyl](triphenylphosphane-κP)ironplatinum(Fe—Pt)–dichloromethane–toluene (1/1/2), [(OC)2Fe(μ-dppm)(μ-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)]

The title compound, [FePt(C12H12O)(C18H15P)(C25H22P2)(CO)2]·2C7H8·CH2Cl2 or [(OC)2Fe(μ-dppm)(μ-C(=O)C(2,4,5-C6H2Me3)=CH)Pt(PPh3)], represents an example of a diphosphane-bridged heterobimetallic dimetallacyclopentenone complex resulting from a bimetallic activation of 1-ethynyl-2,4,5-trimethylbenzene and a metal-coordinated carbonyl ligand. The bridging μ2-C(=O)C(2,4,5-C6H2Me3)=CH unit (stemming from a carbon–carbon coupling reaction between CO and the terminal alkyne) forms a five-membered dimetallacyclopentenone ring, in which the C=C bond is π-coordinated to the Fe centre. The latter is connected to the Pt centre through a short metal–metal bond of 2.5770 (5) Å. In the crystal, the complex is solvated by one dichloromethane and two toluene molecules.