Chemical Bonding Information from Photoelectron Spectroscopy

Electronic structure and chemical bonding of divanadium-oxide clusters „V2Ox , xÄ3 – 7... from anion photoelectron spectroscopy

We report a photoelectron spectroscopic investigation of a series of divanadium-oxide clusters V2Ox 2 (x53 – 7). Well-resolved spectra were obtained at three photon energies ~355, 266, and 193 nm!, revealing the structural and electronic evolution as the number of oxygen atoms increases in the cluster series. A behavior of sequential oxidation was observed in V2Ox 2 for x up to 5: low binding e...

Compton Spectroscopy and Chemical Bonding

In this article we show with the help of two examples how Compton spectroscopy may be used to study the effect of chemical bonding in materials as diverse as a molecular crystal and a high temperature superconductor. Compton spectroscopy has a long history as an investigative method in condensed matter physics and in fact the realisation that the Compton profile is sensitive to the effects of c...

Chemical bonding in Si5(2-) and NaSi5(-) via photoelectron spectroscopy and ab initio calculations.

Photoelectron spectroscopy and ab initio calculations are used to investigate the electronic structure and chemical bonding of Si5(-) and Si5(2-) in NaSi5(-). Photoelectron spectra of Si5(-) and NaSi5(-) are obtained at several photon energies and are compared with theoretical calculations at four different levels of theory, TD-B3LYP, R(U)OVGF, UCCSD(T), and EOM-CCSD(T), all with 6-311+G(2df) b...

Spectroscopy, molecular orbitals, and chemical bonding.

I am most deeply appreciative of the 1966 Nobel prize for chemistry awarded for "fundamental work concerning chemical bonds and the electronic structure of molecules by the molecular-orbital method". In the title of my lecture I have added the work spectroscopy, since it was a study of molecular spec-troscopy which pointed the way toward molecular orbitals. I think it is appropriate also to rem...

A photoelectron spectroscopy and ab initio study of the structuresand chemical bonding of the B25â‹TM cluster