Lowest empty molecular orbitals

This band arises due to the transition of an electron from the molecule with high charge density (donor) to the molecule with low charge density (acceptor). The transition occurs from the highest filled olecular orbital of the donor to the lowest empty molecular orbital of he acceptor. Promotion of an electron to higher unoccupied orbitals of the acceptor... 

This pathway is favorable because the lowest empty molecular orbital of the cy. lic methyl ethylene phosphate ester consists principally of lobes on the back sides of the P-0 ring bonds which can readily interact with the approaching electron pair from water. 

The simplest method for calculating the ionization potentials and the electron affinities is the 7T-HMO method. Such an evaluation is particularly suitable for the determination of the relative electron donor-acceptor properties of the molecules. The appropriate indices are the energies of the highest occupied molecular orbitals (HOMO) for the electron donor capacity and the energies of the lowest empty molecular orbitals (LEMO) for the electron acceptor abilities. These simple theoretical predictions gave an excellent interpretation1,256 of the... 

LEMO) = energy of the lowest empty molecular orbital (LEMO)... 

Step I. The reactants (ACh or ASCh, methanol, imidazol(s) and/or imidazolium(s) form a "planar" intermediate complex between the carbonyl carbon of the substrate (which is in an sp "planar" hybridization state) and the oxygen of the attacking nucleophile methanol. The nucleophile is assumed to attack perpendicular to the plane of the substrate acetate (or thio-acetate) moity with the electrons from the methanol oxygen filling the lowest empty molecular orbital which is centered on the carbonyl carbon of the substrate. 

By an extension of the previous theorem, the energy of the lowest empty molecular orbital (lemo) may be taken as a measure of the electron affinity of the molecule. 

Compound Highest-filled molecular orbital Lowest-empty molecular orbital... 

The use of the sum of the highest occupied molecular orbital and the lowest empty molecular orbital as a measure of the molecular "electronegativity" has been applied to quinolinemethanol antimalarial studies by Purcell and Sunda-... 

Figure 4.11 shows similar calculaticms of the transitimi dipoles for the two highest occupied and lowest empty molecular orbitals of 3-methylindole, a model of the side chain of tryptophan. Again, the transition dipoles for excitation from one of these orbitals to another must lie in the plane of the jt system. The transition dipole calculated for the 02 03 and 0j 04 excitations are oriented approximately 30° from the x axis in the figure (Fig. 4.1 IE, F). That calculated for the 0j 03 and...

The relative energy levels and processes occurring in amorphous selenium and the PNVC/TNF system (from Mott and Emerald 1). HOMO, highest occupied molecular orbital LEMO lowest empty molecular orbital., Electron o, hole... 

---