Evidence for d orbital aromaticity in square planar coinage metal clusters. Wannere, Chaitanya S.,Corminboeuf, Clémence,Wang, Zhi-Xiang,Wodrich, Matthew D.,King, R. Bruce,Schleyer, Paul V. R. Journal of the American Chemical Society . 2005...
The layered square-planar nickelates, Ndn+1NinO2n+2, are an appealing system to tune the electronic properties of square-planar nickelates via dimensionality; indeed, superconductivity was recently observed in Nd6Ni5O12 thin films. Here, we investigate t
The layered square-planar nickelates, Ndn+1NinO2n+2, are an appealing system to tune the electronic properties of square-planar nickelates via dimensionality; indeed, superconductivity was recently observed in Nd6Ni5O12 thin films. Here, we investigate t
Two‐Orbital Three‐Electron Stabilizing Interaction for Direct Co2+As3+ Bonds involving Square‐Planar CoO4 in BaCoAs2O5Two‐Orbital Three‐Electron Stabilizing Interaction for Direct Co2+As3+ Bonds involving Square‐Planar CoO4 in BaCoAs2O5doi:10.1002/ange.201311183Arsenite...
Evidence for d Orbital Aromaticity in Square Planar Coinage Metal Clusters. (p )doi:10.1002/chin.200525001theory, structuretransition metalslithium, LiFor Abstract see ChemInform Abstract in Full Text.John Wiley & Sons, Ltd.ChemInform
Distortions in square-planar palladium(II) halides: a nonempirical molecular orbital model study卤化物钯正方平面变形分子轨道模型Density functional theory is used to characterize the lowest energy excited spin triplet orbital configurations of square-planar halide complexes of palladium(II). Calculations for...
Evidence for d orbital aromaticity in square planar coinage metal clusters. Wannere, Chaitanya S.,Corminboeuf, Clémence,Wang, Zhi-Xiang,Wodrich, Matthew D.,King, R. Bruce,Schleyer, Paul V. R. Journal of the American Chemical Society . 2005...
Density functional theory calculations corroborate this finding, and reveal that the dorbital dominates the near-Eoccupied states as well. Belonging to a regime of 3d electron count found for hole-doped cuprates, PrNiOthus represents one of the closest analogues to cuprates yet reported and a ...
A Molecular Orbital Study of Trans Influence and Kinetic Trans Effect in Square-Planar Platinum(II) ComplexesZumdahl, Steven SDrago, Russell S
Ab initio (RHF/3-21G*) calculations on Sn[(SePR2)(2)N](2) (R=H) suggest that tin coordinated by four selenium atoms does not have a strong preference either for square planar nor for pyramidal geometry. According to the semiempirical PM3 calculations performed at the experimental geometries...