The agostic bond between one hydrogen atom of a phenyl group and the rhodium central ion distorts the ligand sphere from a five-fold geometry to an octahedral complex, which is most likely caused by the the semi-classical dispersion corrections in GFN2-xTB on which we relied for this explorat...
Simond, D., Clifford, S.E., Vieira, A.F., Besnard, C., Williams, A.F.: An octahedral aluminium(III) complex as a three-fold node for supramolecular heterometallic selfassemblies: solution and solid state chemistry. RSC Adv. 4, 16686-16693 (2014)...
2a, C7). This process is consistent with previous static DFT calculations, which suggested that C monomers prefer to remain at an octahedral site in the subsurface layer of Cu(111). The adsorption energy of the sublayer Cu atoms increases by about 0.5 eV15. In all deposition simulations...
For example, the coordination number of the cobalt ion is six, with the coordinated atoms in an octahedral arrangement. [Co(NH3)4Cl2]+ can arrange the ligands around Co3+ in two different ways, as cis and trans stereoisomers (Fig. 2a). Similarly, Rodríguez-Fernández [7] discussed the ...
Octahedral ruthenium(II) complexes containing the chiral ligand (4S)-2-[(Sp)-2-(diphenylphosphino)ferrocenyl]-4-(isopropyl)oxazoline (FcPN) have been prepa... José,Gimeno,and,... - 《Journal of Organometallic Chemistry》 被引量: 14发表: 2001年 Facile η5–η3hapticity interconversion in pe...
In PtO2, the platinum atoms are in the formal +IV oxidation state and are octahedrally coordinated with six oxygen atoms. Such resemblance with PtO2 strongly suggests that the preparation of mononuclear platinum species immobilized on the surface of SrTiO3 produces highly oxidized Pt(IV) atoms ...
A valence electron rule is proposed for the stability of the regular octahedrons of the M6 clusters of high-row representative elements in the singlet states. The 6N+14 (N=0–2) valence electrons stabilize the Oh geometry. The 6N+14 valence electron rule is confirmed by the unrestricted densi...
a MOF consisting of metal-oxide node pillars in an octahedral arrangement connected by bdc linkers in the perpendicular direction forming a ‘wine rack’ shaped structure. This MOF is known to occur in two primary phases: a low temperature ‘narrow’ pore phase and a high temperature ‘large’...
Here, we show the synthesis method for complex 3D nanoframes wherein two-dimensional (2D) dual-rim nanostructures are engraved on each facet of octahedral nanoframes. The synthetic scheme proceeds through multiple executable on-demand steps. With Au octahedral nanoparticles as a sacrificial template, ...
The new approach developed in this paper synthesizes two quantitative measures of chaotic tendencies, Lyapunov index (L) and correlation dimension (D) into an integrated statistic, L and D for EE. L and D reconstructs a spectral dataset into phases, over which the chaotic or complex ...