An Electron Momentum Spectroscopy, Density Functional and Greens Function Theories study of the Outer Valence Electronic Structure of Bicyclo[2.2.1]heptane-2,5-dione

We report our preliminary results for an electron momentum spectroscopy (EMS) study of the outer valence electronic region of bicyclo[2.2.1]heptane-2,5-dione. The measured binding energy spectra are presented for the azimuthal angles 0$^{\circ}$, 10$^{\circ}$ and 0$^{\circ}$+10$^{\circ}$ and are compared to new He(I$\alpha )$ photoelectron spectroscopy results. These data are then compared with results from theoretical computations, using Greens Function theories. Derived momentum distributions are compared against those obtained by calculations which employ the plane-wave impulse approximation. These calculations use basis sets obtained from Density Functional Theory calculations at the triple zeta valence polarization level with a collection of different exchange correlation functionals.