The outer valance orbital electron densities of cyclopentane by binary (e,2e) spectroscopy

The binding energy spectra and electron distributions in momentum space of the valence orbitals of cyclopentane (C₅H₁₀) were analyzed using electron momentum spectroscopy (EMS). It was shown that the impact energy was 1200 eV plus binding energy and energy resolution of the EMS spectrometer was 1.2 eV. The Hartree-Fock and density functional theory (DFT) methods were used to compare the experimental momentum profiles of the outer valence orbitals with the theoretical momentum distributions calculated. The results show that the shapes of the experimental momentum distributions are generally quite well described by both the Hartree-Fock and DFT calculations when the large and diffuse basis sets are used.