Multiple bonds between vanadium atoms

Cotton, F. Albert; Diebold, Michael P.; Shim, Irene

doi:10.1021/ic00204a021

Cited by 79 publications

(97 citation statements)

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“…Selected bond lengths and angles are listed in Table 2. The Mo--Mo i [symmetry code: (i) -x, -y, 1 -z] bond of 2.153 (1) ,~ agrees with the values established for such bonds in similar complexes, but is among the longest so far found (Cotton, 1986;Cotton & Walton, 1982).…”

Section: Commentsupporting

confidence: 78%

A 1:2 Adduct of Tetrakis(μ-thiobenzoato-O,S)dimolybdenum(II)(Mo—Mo) with Triphenylphosphine Oxide, [Mo2(C7H5OS)4].2[(C6H5)3OP]

Cindrić¹,

Vrdoljak²,

Matković‐Čalogović³

et al. 1996

Acta Crystallogr C

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Section: Commentsupporting

confidence: 78%

A 1:2 Adduct of Tetrakis(μ-thiobenzoato-O,S)dimolybdenum(II)(Mo—Mo) with Triphenylphosphine Oxide, [Mo2(C7H5OS)4].2[(C6H5)3OP]

Cindrić¹,

Vrdoljak²,

Matković‐Čalogović³

et al. 1996

Acta Crystallogr C

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“…A considerable amount of work [1][2][3][4][5][6][7][8] has now been reported on the chemical and structural properties of rhodium(II) carboxylates with general formula Rh 2 (OOCR) 4 L 2 , in which L represents a Lewis base and R an organic group. Rhodium(II) carboxylates readily form adducts in which the axial sites are occupied by donor solvents or ligands, leading to the isolation of a large number of adducts.…”

Section: Discussionmentioning

confidence: 99%

Crystal structure of tetrakis(µ2-formiato-κ2O:O')bis(4-methylpyridine-κN) dirhodium(II) (Rh–Rh), C16H18N2O8Rh2

et al. 2015

Zeitschrift Für Kristallographie - New Crystal Structures

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Source of materialRh 2 (O 2 CH) 4 (H 2 O) 2 (10 mg, 0.024 mmol) was dissolved in 5ml of distilled water. Slow vapor diffusion of 4-methylpyridine into the solution in two weeks yielded pink prism crystals suitable for crystallographic analysis. Experimental detailsThe H atoms of the methyl were positioned geometrically (d(C-H) = 0.96 Å), and refined as riding with U iso (H) = 1.5 U eq (C). The other H atoms were positioned geometrically (d(C-H) = 0.93 Å), and refined as riding with U iso (H) = 1.2 U eq (C). (5) Å), and almost equivalent to that in Rh 2 (OOCCH 3 ) 4 (4-pyridinemethanol) 2 (2.4030(7) Å) [9][10][11]. The range of Rh-O distances ranges from 2.029(4) to 2.045(4) Å and the Rh-N distance is 2.241(4) Å, agreeing well with the data of rhodium(II) carboxylates [1,[8][9][10][11]. The Rh-Rh-O angles have a mean value of 89.9(7)°, individual angles being in the range 89.4(2) to 90.4(2)°. The four carboxylate oxygen atoms around Rh atom define a square plane from which the Rh atom is displaced by 0.0754(4) Å, toward the axial nitrogen atoms. The axial Rh-Rh-N angle is close to linear with a value of 179.26(9)°. The pyridine rings are planar with no deviations greater than 0.010 Å. The pyridine rings of neighbouring complexes are parallel to each other with a distance of 3.563 Å . Discussion

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“…115 The Mulliken population analysis using the S12g functional gives a charge distribution of 4s 1.00 3d 7.92 4p 0.07 for each Co atom in the neutral dimer which indicates that 3d orbitals participate in the bonding. This is in agreement with Jamorski et al 107 where they suggest a triple bond for the Co dimer using the Mayer bond order analysis.…”

Section: Cobalt Atom and Dimermentioning

confidence: 99%

Chemical Bonding and Electronic Properties of the Co Adatom and Dimer Interacting with Polyaromatic Hydrocarbons

2015

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The density functional calculations presented here elucidate the nature of the interaction between the Co atom and dimer with a polyaromatic hydrocarbon (PAH). The results are analyzed in terms of structural, electronic and magnetic properties. The bonding character of the Co atom and dimer adsorbed on the PAH exhibits a strong covalent bonding, arising from a hybridization between the d orbitals of Co and the p z orbitals of the carbon atoms, which cause an in-plane distortion in the PAHs. A small charge transfer takes place from the Co atom and dimer to the PAH surface, which creates a positive charge on the metal atoms and thereby change their catalytic activity. Upon adsorption, the magnetic moment of the Co adatom is reduced depending on the adsorption site. For the perpendicular Co dimer to the PAH plane, the projected magnetic moment of the Co atom further from the PAH is increased, which is due to antiferromagnetic coupling between the Co atoms in this configuration. Density of state analysis shows that the main contribution of magnetic moment reduction is due to promotion of electrons from the 4s states to the 3d states of the Co adatom upon adsorption.

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Multiple bonds between vanadium atoms

Cited by 79 publications

References 0 publications

A 1:2 Adduct of Tetrakis(μ-thiobenzoato-O,S)dimolybdenum(II)(Mo—Mo) with Triphenylphosphine Oxide, [Mo2(C7H5OS)4].2[(C6H5)3OP]

A 1:2 Adduct of Tetrakis(μ-thiobenzoato-O,S)dimolybdenum(II)(Mo—Mo) with Triphenylphosphine Oxide, [Mo2(C7H5OS)4].2[(C6H5)3OP]

Crystal structure of tetrakis(µ2-formiato-κ2O:O')bis(4-methylpyridine-κN) dirhodium(II) (Rh–Rh), C16H18N2O8Rh2

Chemical Bonding and Electronic Properties of the Co Adatom and Dimer Interacting with Polyaromatic Hydrocarbons

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