In chemistry, HOMO and LUMO are types of molecular orbitals. The acronyms stand for highest occupied molecular orbital and lowest unoccupied molecular...

minimization of steric Pauli repulsion via small HOMO lobes on the nucleophilic center and (2) small HOMO-LUMO orbital energy gap that ensures orbital overlap...

orbital theory is an application of molecular orbital theory describing HOMO–LUMO interactions. In 1952, Kenichi Fukui published a paper in the Journal...

often referred to as the HOMO and LUMO, respectively. The difference of the energies of the HOMO and LUMO is called the HOMO-LUMO gap. This notion is often...

HOMO-LUMO energy gap. The dipole has a high-lying HOMO which overlaps with LUMO of the dipolarophile. A dipole of this class is referred to as a HOMO-controlled...

charge carriers to conduct electric current. It is closely related to the HOMO/LUMO gap in chemistry. If the valence band is completely full and the conduction...

between the highest occupied molecular orbital (HOMO) and the lowest occupied molecular orbital (LUMO) and thus can be described as having incomplete...

key assumptions of frontier molecular orbital theory (i.e., theory of HOMO–LUMO interactions) and hard soft acid base (HSAB) theory. Conceptually, it...

highest occupied molecular orbital (HOMO) of the nucleophile, and the lowest unoccupied molecular orbital (LUMO) of the unsaturated, trigonal center...

for ethylene with its two π electrons filling the low-energy HOMO and the high energy LUMO remaining empty. In butadiene the 4 π-electrons occupy 2 low...

dienophile's π* as the lowest unoccupied molecular orbital (LUMO). However, the HOMO–LUMO energy gap is close enough that the roles can be reversed by...

conduction in solids, and another description of band structure. Fermi sea HOMO/LUMO Semiconductor for a full explanation of the band structure of materials...

table – discusses the limits of the periodic table Group (periodic table) HOMO/LUMO Molecular term symbol Octet rule Periodic table (electron configurations)...

between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). For a chain of n C=C bonds or 2n carbon atoms...

electrons into the vacant LUMO either by reduction or adduct formation with Lewis bases significantly increases the HOMO–LUMO gap. Consequently, a dramatic...

and approximately sp2-hybridised. The SN2 reaction can be viewed as a HOMO–LUMO interaction between the nucleophile and substrate. The reaction occurs...

molecules recorded at a bias of −2 V (left) and +1 V (right). Note that STM probes density of electrons in the HOMO/LUMO bands rather than atomic profiles....

HOMO to LUMO and HOMO to LUMO+1 transitions. Upon addition of halogen, however, it was found that the HOMO-LUMO energy gap decreased, with the LUMO possessing...

poor overlap of the atomic orbitals and the energy gap between the HOMO and LUMO is thus reduced for C=S molecular orbitals relative to C=O. The striking...

called the HOMO and the lowest unoccupied molecular orbital is called the LUMO; the energy gap between these two states is known as the HOMO–LUMO gap. If...

This results in slightly less negative charge within the ring, smaller HOMO-LUMO gaps, as well as differences in redox chemistry when compared to their...

analyzed the frontier orbitals of such systems. A process in which the HOMO-LUMO interaction is constructive (results in a net bonding interaction) is...

optimization are as follows: the HOMO and LUMO of the dienophile "ethylene" are two-centered, while the HOMO and the LUMO of the substituted diene "hexadeca-1...

lowest unoccupied molecular orbitals, and thereby stabilize the HOMOs and destabilize the LUMOs (resulting in the overall stabilization of the molecule). The...

highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO/LUMO) varies with the size and composition of a nanocluster. Thus, the optical...

fulvenes add nucleo- and electrophiles easily. They also have a small HOMO-LUMO gap, typically leading to the eponymous visible coloration ("fulvus" is...

molecular geometry from knowledge of how the LUMO (Lowest Unoccupied Molecular Orbital) affects the HOMO (Highest Occupied Molecular Orbital) when the...

solvents are both red. The presence of this color implies a relatively small HOMO/LUMO gap that is accessible by green light. The geometry of compounds can be...

dicoordinate cases, with its HOMO and LUMO being the exocyclic lone pair and empty p-orbital, respectively. Optimized Geometry HOMO LUMO The optimized geometry...

been studied for use in organic solar cells. The LUMO in C60 is triply degenerate, with the HOMO–LUMO separation relatively small. This small gap suggests...