X-ray spectra and electronic structure of the CH3OH molecule

X-ray spectra and electronic structure of the CH3OH molecule

The electronic structure of methanol was investigated by high-resolution x-ray excited spectroscopy. An interpretation of the spectra is given. The results are compared with photoelectron data and quantum-chemical calculations. It is shown that an ordered structure is formed in the transition from t...

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Veröffentlicht in:J. Struct. Chem. (Engl. Transl.); (United States) 1986-01, Vol.26 (4), p.540-545
Hauptverfasser: Yumatov, V. D., Okotrub, A. V., Mazalov, L. N., Belikova, G. S., Okhrimenko, T. M.
Format: Artikel
Sprache:eng
Schlagworte:
400201 - Chemical & Physicochemical Properties
640302 - Atomic, Molecular & Chemical Physics- Atomic & Molecular Properties & Theory
ALCOHOLS
ATOMIC AND MOLECULAR PHYSICS
ATOMIC MODELS
BINDING ENERGY
CHEMICAL ANALYSIS
CHEMICAL BONDS
COLLISIONS
COMPUTERIZED SIMULATION
CONFIGURATION INTERACTION
CORRELATIONS
CRYSTALS
ELECTRON COLLISIONS
ELECTRON CORRELATION
ELECTRON PAIRS
ELECTRON-MOLECULE COLLISIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY
FLUIDS
GASES
HYDROGEN
HYDROXY COMPOUNDS
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
IONIZATION POTENTIAL
MATHEMATICAL MODELS
MECHANICS
METHANOL
MOLECULAR ORBITAL METHOD
MOLECULE COLLISIONS
NONDESTRUCTIVE ANALYSIS
NONMETALS
ORGANIC COMPOUNDS
PHASE TRANSFORMATIONS
QUANTUM MECHANICS
RESOLUTION
SIMULATION
SOLIDS
SPECTRA
VALENCE
X-RAY EMISSION ANALYSIS
X-RAY FLUORESCENCE ANALYSIS
X-RAY SPECTRA
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Beschreibung
Zusammenfassung:The electronic structure of methanol was investigated by high-resolution x-ray excited spectroscopy. An interpretation of the spectra is given. The results are compared with photoelectron data and quantum-chemical calculations. It is shown that an ordered structure is formed in the transition from the gas phase of the solid as a result of the formation of a hydrogen bond.
ISSN:0022-4766
1573-8779
DOI:10.1007/BF00754126