13C,17O and55Mn NMR studies on substituted manganese carbonyl complexes. A contribution to the mechanism of demetalation reactions

The experimental geometry obtained from single-crystal X-ray diffraction for a number of binuclear S-bridged manganese complexes is compared with the results of theoretical calculations made at theab initiolevel by using Hartree–Fock and density functional theory methods with medium-size and large basis sets. The optimized geometries obtained were somewhat relaxed when compared with the experimental ones, with very similar bond and torsion angles but longer bond lengths. The mean square deviation for bond lengths (angles) was found to be between 0.046 Å (1.1°) and 0.004 Å (0.7°) depending on the theoretical model used.

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High-nuclearity manganese carbonyl complexes: structures of [{Mn(µ3–OH)(CO)3}4] and [Mn7(µ3–OH)8(CO)18]

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39910001607 ◽

1991 ◽

pp. 1607-1608 ◽

Cited By ~ 24

Author(s):

Michael D. Clerk ◽

Michael J. Zaworotko

Keyword(s):

Carbonyl Complexes ◽

Manganese Carbonyl

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13C,17O and55Mn NMR studies on substituted manganese carbonyl complexes. A contribution to the mechanism of demetalation reactions

Crystal structure of trans-[W(CO)4(η2-C2H4)2] and IR and 1H NMR studies of the reactions of this and related ethene carbonyl complexes of tungsten(0), [W(CO)n(η2-C2H4)6- n] ( n=3–5)

Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]

Synthesis and Assessment of CO-Release Capacity of Manganese Carbonyl Complexes Derived from Rigid α-Diimine ­Ligands of Varied Complexity

Coupling of iminoacyl groups to diazabutadienes on manganese carbonyl complexes

ChemInform Abstract: Reactions of an Imidoyl Halide with Manganese Carbonyl Complexes.

Ligand effects on CO bridging in binuclear manganese carbonyl complexes

Synthesis and characterization of heteroscorpionate-based manganese carbonyl complexes as CO-releasing molecules

Bimetallic systems. Part 15. Some reactions of platinum–manganese carbonyl complexes containing bridging Ph2PCH2PPh2(dppm) ligands

Theoreticalversusexperimental geometries in S-bridged manganese carbonyl complexes

High-nuclearity manganese carbonyl complexes: structures of [{Mn(µ3–OH)(CO)3}4] and [Mn7(µ3–OH)8(CO)18]

Synthesis and Assessment of CO-Release Capacity of Manganese Carbonyl Complexes Derived from Rigid α-Diimine Ligands of Varied Complexity