Lone Pair Ionization Potentials of Carboxylic Acids Determined by He(I) Photoelectron Spectroscopy
スポンサーリンク
概要
- 論文の詳細を見る
Photoelectron spectra of some simple carboxylic acids and halogen substituted acetic acids were observed. Each spectrum contains a band which is associated with the ionization from an oxygen lone pair (n<SUB>0</SUB>) orbital of carboxyl group. The band associated with the n<SUB>0</SUB> orbital is clearly separated from other bands, and its shape and width are quite similar among the various carboxylic acids. In the spectra of halogen substituted acetic acids, n<SUB>0</SUB> band appears around the region of the lone pair bands of halogen atoms. The ionization potentials for oxygen lone pair orbital of carboxylic acids are measured and compared with the results of some semi-empirical SCF MO calculations. The agreements are quite satisfactory when ionization potentials are obtained from the difference of total energies of neutral molecule and its corresponding cation calculated using CNDO/2 or INDO method. MINDO/2 method also gives excellent values when Koopmans' theorem is applied.
- 公益社団法人 日本化学会の論文
著者
-
Watanabe Iwao
Department Of Anesthesilogy Takasaki National Hospital
-
Yokoyama Yu
Department Of Chemistry Faculty Of Science Osaka University
-
Ikeda Shigero
Department Of Chemistry Faculty Of Science Osaka University
関連論文
- Estimation of the Dissolved Structures and Condensation Reactivities of Mononuclear Molybdenum(VI) Species in Solution Using the UV-vis Absorption Spectra and Molecular Orbital Calculation DV-Xα
- Observation of Photopyroelectric Signal in X-Ray Region
- Adsorption of 1-Decyl-3-methylimidazolium Bromide and Solvation Structure of Bromide at the Air/Water Interface
- CASE OF HEMORRHAGE FROM A DUODENAL DIVERTICULUM TREATED SUCCESSFULLY BY ENDOSCOPIC INJECTIONS OF EPINEPHRINE
- An Upper Limit for the Probability of Nuclear Excitation by Electron Transition in U
- X-Ray Photoemission Spectra of Valence Bands in Amorphous Ge-Ni, Ge-Fe and Ge-Au Alloys
- Self-Scanning Photodiode Array as X-Ray Detector and Its Application to EXAFS
- INFRARED PHOTOACOUSTIC SPECTROMETRY OF POWDERED SAMPLES. CALIBRATION CURVES OF SULFATE COMPOUNDS
- PHOTOACOUSTIC SPECTROMETRY BY TOTAL INTERNAL REFLECTION TECHNIQUE. DEPENDENCE OF PHOTOACOUSTIC SIGNAL INTENSITY ON CONCENTRATION AND OPTICAL PATH
- Measurement of Photoacoustic Spectra with Improved Resolution and Its Application to Uranyl Complexes
- Reproducibility Tests of Extended X-Ray Absorption Fine Structure for Aqua and Ammine Complexes of First Transition Metals in Solid and Aqueous Solution
- Multielectron Excitation Structures in X-Ray Absorption Fine Structure Spectra of Bromide Ion in Tetra-n-Propylammonium Salt and Solutions
- EXARFS Debye-Waller Factor and Ligand Exchange Reaction of Hydrated Metal Complexes
- Voltammetry with an Electrode Surface Successively Renewed by Laser-Ablation
- Laser Electrochemical Detection Technique in a Flow System
- Probing Depth Study of Conversion Electron/He Ion Yield XAFS Spectroscopy on Strontium Titanate Thin Films
- EFFECT OF THE DIFFERENCE OF TILLAGE OPERATIONS ON MICROBIAL PROPERTIES OF SOIL LAYERS
- EFFECTS OF α-HUMAN NATRIURETIC PEPTIDE ON RENAL HEMODYNAMICS AND DIURESIS IN DOGS AND PERFUSED RAT KIDNEYS
- X-ray Absorption Spectroscopy of Ions Attracted by Langmuir Membranes at Controlled Surface Pressures
- EFFECT OF APPLICATION OF GLUCOSE, CELLULOSE, AND RICE STRAW ON NITROGEN FIXATION (ACETYLENE REDUCTION AND SOIL-NITROGEN COMPONENTS) IN ANAEROBIC SOIL
- Dependence of EXAFS(Extended X-Ray Absorption Fine Structure) Parameters of Iodide Anions in Various Solvents upon a Solvent Parameter
- Total Reflection Method Applied to an X-Ray Absorption Fine Structure Study of Aqueous Solution Surface
- Probing Depth of Ultraviolet Photoelectron Yield Spectroscopy in Hydrocarbon Films
- Internal structures of a subaerial dacite cryptodome at Usu volcano, Hokkaido, Japan (特集 2003年度実施の地域との共同研究の報告)
- Anomalous peak intensities in the EXAFS of polynuclear molybdenum compounds.
- Photoionization threshold energies of amine solutions studied by photoelectron emission by solution.
- Photoelectron emission study of iron(II) and cobalt(II) complexes in aqueous solution. Reorganization energies.
- Preparation of tetraethylammonium hexamolybdate by the use of extraction method.
- He I photoelectron spectra of ethylene carbonate and related compounds.
- X-Ray Photoelectron Spectroscopic Study of the Reaction of Evaporated Iron, Nickel, and Palladium with Nitric Oxide
- XPS study on the charge distribution in chromium(0) complexes.
- Band shape of photoelectron spectrum and potential energy curve for alkylamine.
- Ultraviolet Study for the Adsorption of Acetylacetone on D-Tartaric Acid Preadsorbed Nickel Film
- Solvation of alkylbenzenes studied by photoelectron emission spectroscopy of organic solutions.
- UV photoelectron spectroscopic investigation and the DV-X.ALPHA. MO calculation of tetrakis(2-methyl-2-propanethiolato)molybdenum(IV).
- Lone Pair Ionization Potentials of Carboxylic Acids Determined by He(I) Photoelectron Spectroscopy
- Photoacoustic spectrometry of solid samples. III. Microdetermination of mercury as Hg diphenylcarbazone complex.
- XANES of aqua complexes of 3d transition metals in solid and solution.
- Reduction of nitrobenzenes on thin aluminium oxide utilized in inelastic electron tunneling spectroscopy.
- Chemical shifts of sulfur KLL Auger electron energies in its compounds.
- Studies on the chemical shifts of Auger electron energies for magnesium and zinc in their compounds.
- Kinetic parameters of the electrode reaction of carbonatocobalt(III) complexes at mercury electrodes.