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searching for Lumo Energy 23 found (37 total)

HOMO and LUMO (357 words) [view diff] no match in snippet view article find links to article

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

Silanone (597 words) [view diff] case mismatch in snippet view article find links to article

The reason for this instability is the weak pi bond with a small HOMO–LUMO energy gap caused by an unfavorable overlap between the p-orbitals of silicon

Koopmans' theorem (2,894 words) [view diff] case mismatch in snippet view article find links to article

possible depending on the exchange-correlation approximation employed. The LUMO energy shows little correlation with the electron affinity with typical approximations

Inverse electron-demand Diels–Alder reaction (2,643 words) [view diff] case mismatch in snippet view article find links to article

Diene Name HOMO Energy (eV) LUMO Energy (eV) Reaction Pathway (DA/DAINV) 2-cyclohexylidene-3-oxo-3-phenylpropanenitrile -9.558 2.38 DAINV Acrolein -14

Thermally activated delayed fluorescence (2,435 words) [view diff] case mismatch in snippet view article find links to article

carbazole groups are antiplanar, the differences between the HOMO and LUMO energy levels is minimized and the compound can more easily transfer between

Polyfluorene (3,873 words) [view diff] no match in snippet view article find links to article

the electron accepting molecules lowest unoccupied molecular orbital (LUMO) energy level. By adding electron withdrawing pendant molecules to conjugated

Thiobenzophenone (480 words) [view diff] case mismatch in snippet view article find links to article

cycloadditions is related but not limited to the size of the small HOMO/LUMO energy gap of the π-MOs of the C=S double bond. Reactions between thiobenzophenone

N-Heterocyclic carbene boryl anion (2,450 words) [view diff] case mismatch in snippet view article find links to article

diversity the optoelectronic properties by reducing the LUMO energy level. This lowering of the LUMO energy increases acceptor ability by lowering the energy

HSAB theory (2,114 words) [view diff] case mismatch in snippet view article find links to article

high electronegativity (bases) high low HOMO energy of bases low higher LUMO energy of acids high lower (but more than soft-base HOMO) affinity ionic bonding

1,3-Dipolar cycloaddition (6,426 words) [view diff] case mismatch in snippet view article find links to article

III. The dominant pathway is the one which possesses the smallest HOMO-LUMO energy gap. The dipole has a high-lying HOMO which overlaps with LUMO of the

Polymer-fullerene bulk heterojunction solar cell (2,513 words) [view diff] case mismatch in snippet view article find links to article

molecules are photoexcited, they jump from the HOMO to LUMO energy level. The electrons now in the LUMO energy level can travel to nearby acceptor molecules,

Lewis acid catalysis (5,017 words) [view diff] case mismatch in snippet view article find links to article

Diels-Alder and 1,3-dipolar cycloaddition reactions, Lewis acids lower the LUMO energy of the dienophile or dipolarphile, respectively, making it more reactive

Tellurophenes (5,041 words) [view diff] case mismatch in snippet view article find links to article

transitions. Upon addition of halogen, however, it was found that the HOMO-LUMO energy gap decreased, with the LUMO possessing significant Te-X antibonding

Hückel method (7,291 words) [view diff] case mismatch in snippet view article find links to article

{\textstyle \Psi _{-}={\frac {1}{\sqrt {2}}}(\phi _{1}-\phi _{2})\,} is the LUMO energy. If, contrary to the Hückel treatment, a positive value for S := S 12

Organic solar cell (13,557 words) [view diff] case mismatch in snippet view article find links to article

serves as the conduction band. The energy separation between the HOMO and LUMO energy levels is considered the band gap of organic electronic materials and

Bioorthogonal chemistry (5,098 words) [view diff] case mismatch in snippet view article find links to article

Electron withdrawing groups such as fluorine increase rate by decreasing LUMO energy and the HOMO-LUMO gap. This leads to a greater charge transfer from the

Diels–Alder reaction (7,087 words) [view diff] case mismatch in snippet view article find links to article

as the lowest unoccupied molecular orbital (LUMO). However, the HOMO–LUMO energy gap is close enough that the roles can be reversed by switching electronic

Non-fullerene acceptor (2,196 words) [view diff] no match in snippet view article find links to article

electronic affinity tunability. Their compatibility originates from their LUMO-energy value similarity. The driving force is minimized to solely Coulombic

Lewis acidic antimony compounds (2,302 words) [view diff] case mismatch in snippet view article find links to article

energy increases the Lewis acidity. For example, Sb(C6H5)3 has a higher LUMO energy (−0.55 eV) and weaker FIA (59 kcal/mol) than Sb(C6F5)3 (−1.76 eV and

Borole (4,514 words) [view diff] case mismatch in snippet view article find links to article

bonding interactions from nitrogen in [(Me3Si)2NBC4Ph4] raises the borole LUMO energy and a resulting blue shift of the lowest energy absorption in UV-Vis

Boraacenes (2,835 words) [view diff] case mismatch in snippet view article find links to article

energies, individually, are higher. This gap is associated with a lower LUMO energy rather than a higher HOMO energy, as each boron compound has a relatively

9-Borafluorene (2,648 words) [view diff] case mismatch in snippet view article find links to article

with the frontier molecular orbitals above, explaining the trends in LUMO energy. The HOMO has a small contribution from the boron atom and is thus affected

Second-order Jahn-Teller distortion in main-group element compounds (1,244 words) [view diff] case mismatch in snippet view article find links to article

3p and 1s orbitals in PH3 (versus between 2p and 1s in NH3), the HOMO-LUMO energy gap in PH3 will be smaller than that of NH3. This allows for a stronger