Triple‐Bond Covalent Radii

Pyykkö, Pekka; Riedel, Sebastian; Patzschke, Michael

doi:10.1002/chem.200401299

Cited by 387 publications

(372 citation statements)

References 124 publications

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“…A triple-bond covalent radius of 1.18 Å has recently been proposed for uranium. 6 For a triple U-U bond this would give 2.36 Å , close enough to the calculated 2.30 Å .…”

Section: Resultssupporting

confidence: 75%

A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.

2005

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Quantum chemical calculations, based on multiconfigurational wave functions and including relativistic effects, show that the U 2 21 system has a large number of low-lying electronic states with S of 0 to 2 and K ranging from zero to ten. These states share a very small bond length of about 2.30 Å , compared to 2.43 Å in neutral U 2 . The Coulomb explosion to 2 U 1 lowers the energy by only 1.6 eV and is separated by a broad barrier.

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“…A triple-bond covalent radius of 1.18 Å has recently been proposed for uranium. 6 For a triple U-U bond this would give 2.36 Å , close enough to the calculated 2.30 Å .…”

Section: Resultssupporting

confidence: 75%

A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.

2005

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“…Moreover, similar trends can be expected when considering heavier transition metal diatomic combinations, e.g. the highest occupied orbital of TaN − is predicted (27) to resemble the symmetry of the 16σ orbital of WC − , continuing the Pt − isoelectronic correspondence. It is tantalizing to suggest this same isoelectronic principle may hold to increasing orders of molecularity, i.e.…”

Section: Resultssupporting

confidence: 72%

Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts

Peppernick

Gunaratne²,

Castleman

2009

Proc. Natl. Acad. Sci. U.S.A.

101

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Detailed in the present investigation are results pertaining to the photoelectron spectroscopy of negatively charged atomic ions and their isoelectronic molecular counterparts. Experiments utilizing the photoelectron imaging technique are performed on the negative ions of the group 10 noble metal block (i.e. Ni − , Pd − , and Pt − ) of the periodic table at a photon energy of 2.33 eV (532 nm). The accessible electronic transitions, term energies, and orbital angular momentum components of the bound electronic states in the atom are then compared with photoelectron images collected for isoelectronic early transition metal heterogeneous diatomic molecules, M-X − (M ¼ Ti; Zr; W; X ¼ O or C). A superposition principle connecting the spectroscopy between the atomic and molecular species is observed, wherein the electronic structure of the diatomic is observed to mimic that present in the isoelectronic atom. The molecular ions studied in this work, TiO − , ZrO − , and WC − can then be interpreted as possessing superatomic electronic structures reminiscent of the isoelectronic elements appearing on the periodic table, thereby quantifying the superatom concept.cluster anions | photoelectron imaging | superatoms | angular distributions | transition metal A lchemy, the medieval practice that endeavored to transform mundane elements into the rarer, exotic variety has found many analogies in the modern physical sciences ranging from gas-phase clusters (1) to surface science (2). Particularly intriguing was a report (2) demonstrating that a tungsten carbide surface displayed similar chemical reactivity as the noble metal platinum, an element well established in its propensity for catalytically initiating a vast array of chemical transformations. By contrast, elemental tungsten alone did not exhibit comparable reactivity patterns. In order to provide insight to these findings, we have undertaken a comparative spectroscopic investigation between anionic group 10 elements ðNi − ; Pd − ; Pt − Þ and their complementary isoelectronic early transition metal molecular counterparts M-X − (M ¼ Ti; Zr; W and X ¼ O or C). We observe photoelectron signatures and angular distributions in the acquired images that exhibit very similar aspects between the respective atom and molecule. This observation suggests a correlation between the spectroscopy of an element and the isoelectronic molecular species. As a representative example, consider the formation of the diatomic molecule TiO from the united atom perceptive of molecular orbital theory (3). If only the 6 valence electrons of O ( ½He 2s 2 2p 4 ) are to be considered, subsequent combination with the 4 valence electrons of Ti ( ½Ar 3d 2 4s 2 ) creates a molecular entity with an isoelectronic configuration commensurate with the 10 valence electrons of elemental Ni ( ½Ar 3d 8 4s 2 ). In other words, the early transition metal Ti is positioned on the periodic table 6 elements removed from Ni and the intervening periodic span is traversed by the valency of atomic O. The diatomic molecule, TiO,...

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“…This situation is in keeping with the formulation of [PNb(NNpAr) 3 ] À as having a niobium-phosphorus triple bond; note that the sum of proposed Nb and P triple-bond covalent radii is 2.10 . [72] Also supporting this formulation is the large downfield chemical shift observed for [PNb-(NNpAr) 3 ]…”

Section: Diorganophosphanylphosphinidenes: Phosphinidenes With a Pr 2mentioning

confidence: 85%

Terminal, Anionic Carbide, Nitride, and Phosphide Transition‐Metal Complexes as Synthetic Entries to Low‐Coordinate Phosphorus Derivatives

Cummins

2006

Angew Chem Int Ed

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Anionic terminal one‐atom nitride, phosphide, and carbide complexes are excellent starting materials for the synthesis of ligands containing low‐coordinate phosphorus centers in the protecting coordination sphere of the metal complex. Salt‐elimination reactions with chlorophosphanes lead to phosphaisocyanide, iminophosphinimide, and diorganophosphanylphosphinidene complexes in which the unusual phosphorus ligands are stabilized by coordination. X‐ray structure analyses and density‐functional calculations illuminate the bonding in these compounds.

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Triple‐Bond Covalent Radii

Cited by 387 publications

References 124 publications

A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.

A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.

Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts

Terminal, Anionic Carbide, Nitride, and Phosphide Transition‐Metal Complexes as Synthetic Entries to Low‐Coordinate Phosphorus Derivatives

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Triple‐Bond Covalent Radii

Cited by 387 publications

References 124 publications

A Very Short Uranium—Uranium Bond: The Predicted Metastable U22+.

A Very Short Uranium—Uranium Bond: The Predicted Metastable U22+.

Superatom spectroscopy and the electronic state correlation between elements and isoelectronic molecular counterparts

Terminal, Anionic Carbide, Nitride, and Phosphide Transition‐Metal Complexes as Synthetic Entries to Low‐Coordinate Phosphorus Derivatives

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A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.

A Very Short Uranium—Uranium Bond: The Predicted Metastable U₂²⁺.