square planar structuretrigonal structurebipyramidal structureoctahedral structured orbital ordercentre of splittingdiffuse charge model/ A3000 Atomic and molecular physicsThe electrostatic point charge model of the ligand field theory is extended by representing each ligand by 2635 points uniformly distributed ...
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 Nd6Ni5O12thin films. Here, we investigate the role of epitaxial strain in the competin...
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 Nd6Ni5O12thin films. Here, we investigate the role of epitaxial strain in the competin...
Herein, we show that the novel compound BaCoAs2O5, with lone-pair As3 ions, is built from rare square-planar Co2 O4 involved in direct bonding between As3 E and Co2 d z2 orbitals (Co–As=2.51 ). By means of DFT and Hückel calculations, we show that this σ-typ...
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...
V. R. Schleyer, "Evidence for d orbital aromaticity in square planar coinage metal clusters," Journal of the American Chemical Society, vol. 127, no. 15, pp. 5701- 5705, 2005.Wannere C S,Corminboeuf C,Wang Z X,et al.Evidence for d orbital aromaticity in square planar coinage ...
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
Phelan, D.Zheng, HongPardo, V.Norman, M. R.Mitchell, J. F.Nature PhysicsNature PhysicsJ. Zhang, A. S. Botana, J. W. Freeland, D. Phelan, H. Zheng, V. Pardo, M. R. Norman, J. F. Mitchell, Large orbital polarization in a metallic square-planar nickelate. Nature Phys. 13, ...
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...