ORBITAL MIXING IN CO CHEMISORPTION ON TRANSITION-METAL SURFACES

The chemisorption of CO on metal surfaces is widely accepted as a model for understanding chemical bonding between molecules and solid surfaces, but is nevertheless still a controversial subject. Ab initio total energy calculations using density functional theory with gradient corrections for CO chemisorption on an extended Pd{110} slab yield good agreement with experimental adsorption energies. Examination of the spatial distribution of individual Bloch states demonstrates that the conventional model for CO chemisorption involving charge donation from CO 5 sigma states to metal states and back-donation from metal states into CO 2 pi states is too simplistic, but the computational results provide direct insight into the chemical bonding within the framework of orbital mixing (or hybridisation). The results provide a sound basis for understanding the bonding between molecules and metal surfaces.

Discovery of a New Retrograde Trans-Neptunian Object: Hint of a Common Orbital Plane for Low Semimajor Axis, High-inclination TNOs and Centaurs

Although the majority of Centaurs are thought to have originated in the scattered disk, with the high-inclination members coming from the Oort cloud, the origin of the high-inclination component of trans-Neptunian objects (TNOs) remains uncertain. We report the discovery of a retrograde TNO, which we nickname “Niku,” detected by the Pan-STARRS 1 Outer Solar System Survey. Our numerical integrations show that the orbital dynamics of Niku are very similar to that of 2008 KV42 (Drac), with a half-life of ˜500 Myr. Comparing similar high-inclination TNOs and Centaurs (q > 10 au, a <100 au, and i > 60°), we find that these objects exhibit a surprising clustering of ascending node, and occupy a common orbital plane. This orbital configuration has high statistical significance: 3.8-σ. An unknown mechanism is required to explain the observed clustering. This discovery may provide a pathway to investigating a possible reservoir of high-inclination objects.

Orbital and strongly orbital spaces

We say that a (countably dimensional) topological vector space X is orbital if there is T∈L(X) and a vector x∈X such that X is the linear span of the orbit {Tnx:n=0,1,…}. We say that X is strongly orbital if, additionally, x can be chosen to be a hypercyclic vector for T. Of course, X can be orbital only if the algebraic dimension of X is finite or infinite countable. We characterize orbital and strongly orbital metrizable locally convex spaces. We also show that every countably dimensional metrizable locally convex space X does not have the invariant subset property. That is, there is T∈L(X) such that every non-zero x∈X is a hypercyclic vector for T. Finally, assuming the Continuum Hypothesis, we construct a complete strongly orbital locally convex space.

As a byproduct of our constructions, we determine the number of isomorphism classes in the set of dense countably dimensional subspaces of any given separable infinite dimensional Fréchet space X. For instance, in X=ℓ2×ω, there are exactly 3 pairwise non-isomorphic (as topological vector spaces) dense countably dimensional subspaces.