Lowest unoccupied molecular orbital spectroscopy

Aromatic Radical Anions. Many aromatic hydrocarbons react with alkaU metals in polar aprotic solvents to form stable solutions of the corresponding radical anions as shown in equation 8 (3,20). These solutions can be analyzed by uv-visible spectroscopy and stored for further use. The unpaired electron is added to the lowest unoccupied molecular orbital of the aromatic hydrocarbon and a... 

In absorption and fluorescence spectroscopy, two important types of orbitals are considered the Highest Occupied Molecular Orbitals (HOMO) and the Lowest Unoccupied Molecular Orbitals (LUMO). Both of these refer to the ground state of the molecule. For instance, in formaldehyde, the HOMO is the n orbital and the LUMO is the n orbital (see Figure 2.1). 

Ultraviolet (UV) spectroscopy is a method cd structure determination applicable specifically to conjugated systems. When a coi jugated molecule is irradiated with ultraviolet light, ener gy absorption occurs and a it electron is promoted from the highest occupied molecular orbital tHOMOl to the lowest unoccupied molecular orbital (L.UMO1. For I,3< butadiene, radiation of 217 nm ia required. As a general rule, the... 

DFT = density functional theory HMQC = heteronuclear multiple quantum coherence SOMO = singly occupied molecular orbital PES = photoelectron spectroscopy Cl = configuration interaction LUMO = lowest unoccupied molecular orbital HOMO = highest occupied molecular orbital TLC = thin layer chromatography. 

Abbreviations BCC. body centered cubic DOS. density of states ESR. electron spin resonance HX.AI S, extended X-ray absorption fine structure F CC. face centered cubic (a crystal structure). FID, free induction decay FT, Fourier transform FWHM, full width at half maximum HCP, hexagonal close packed HOMO, highest occupied molecular orbital IR, Infrared or infrared spectroscopy LDOS, local density of states LUMO, lowest unoccupied molecular orbital MAS. magic angle spinning NMR. nuclear magnetic resonance PVP. poly(vinyl pyrrolidone) RF. Radiofrequency RT, room temperature SEDOR, spin echo double resonance Sf, sedor fraction SMSI, strong metal-support interaction TEM. transmission electron microscopy TOSS, total suppression of sidebands. 

Electron transmission spectroscopy of 3 and 4, which measures gas-phase electron affinities, reveals an even larger splitting (ca. 1.6 eV) of the nonbonding orbitals in these pericyclynes [9]. The lowest unoccupied molecular orbitals (LUMOs) are stabilized by 0.4-0.7 eV relative to the LUMO of acetylene. 

Infrared spectroscopy Lithium cyclohexylisopropylamide Lithium diisopropylamide Lithium hexamethyl disilazide Lithium 2,2,6,6-tetramethylpiperidide Lowest unoccupied molecular orbital mefa-Chloroperoxybenzoic acid Methyl... 

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