Oxygen K-edge extended x-ray-absorption fine-structure studies of molecules containing oxygen and carbon atoms

Journal Article · Sat Oct 31 23:00:00 EST 1987 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.36.4298· OSTI ID:5596077

Yang, B X; Kirz, J; Sham, T K

The absorption spectra of a group of selected molecules containing O: C bonds, carbon monoxide, carbon dioxide, carbonyl sulfide, acetone, ethanol, diethylether, tetrahydrofuran, and dioxane, have been recorded in a transmission mode in the energy region from 500 to 1000 eV. Earlier observation of extended x-ray-absorption fine structure (EXAFS) in some of these molecules is confirmed. A systematic analysis of the EXAFS spectra is performed. The results in both phase and amplitude show disagreement with the single-electron single-scattering theory with plane-wave approximation. The measured phase is systematically lower than the theory of Teo and Lee (J. Am. Chem. Soc. 101, 2815 (1979)) by about 0.7--1.5 rad, which may be significant in determining interatomic distances. The EXAFS amplitude function in the molecules containing oxygen-carbon single bonds also shows an appreciable deviation (decrease) in the first-neighbor backscattering from that predicted by theory and an increase in the second-neighbor backscattering at high-k values.

• Research Organization: Department of Physics, State University of New York at Stony Brook, New York 11794
• OSTI ID: 5596077
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 36:9; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ABSORPTION SPECTRA
ACETONE
ALCOHOLS
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON MONOXIDE
CARBON OXIDES
CARBON OXYSULFIDE
CHALCOGENIDES
CHEMICAL BONDS
DIOXANE
DISTANCE
ELECTROMAGNETIC RADIATION
ETHANOL
ETHERS
ETHYL ETHER
FINE STRUCTURE
FURANS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
INTERATOMIC DISTANCES
IONIZING RADIATIONS
KETONES
MOLECULAR STRUCTURE
MOLECULES
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHASE SHIFT
RADIATIONS
SPECTRA
SULFUR COMPOUNDS
TETRAHYDROFURAN
X RADIATION