Inner-shell spectroscopy of benzaldehyde, terephthalaldehyde, ethyl benzoate, terephthaloyl chloride, and phosgene: Models for core excitation of poly(ethylene terephthalate)

Journal Article · Thu Oct 29 04:00:00 EST 1992 · Journal of Physical Chemistry

DOI:https://doi.org/10.1021/j100201a015· OSTI ID:458786

Hitchcock, A P; Urquhart, S G ^[1]; Rightor, E G ^[2]

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1. McMaster Univ., Ontario (Canada)
2. Texas Polymer Centre, Freeport, TX (United States)

Oscillator strengths for C 1s and O 1s excitation of terephthalaldehyde, benzaldehyde, and ethyl benzoate and C 1s, O 1s and Cl 2p excitation of terephthaloyl chloride and phosgene have been derived from electron energy loss spectra recorded under scattering conditions where electric dipole transitions dominate. Extended Hueckel molecular orbital (EHMO) calculations were used to aid interpretation of the core excitation spectra of these multifunctional organic molecules. The experimental molecular spectra and EHMO calculations were used to estimate the C 1s and O 1s core excitation spectra of poly(ethylene terephthalate) (PET). Comparisons to the C 1s and O 1s energy loss spectra of PET recorded in an electron microscope have demonstrated that gas-phase spectra and theoretical studies of molecular analogues are useful in interpreting the core excitation spectra of polymers. 48 refs., 14 figs., 13 tabs.

• Sponsoring Organization: USDOE
• OSTI ID: 458786
• Journal Information: Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 22 Vol. 96; ISSN JPCHAX; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
40 CHEMISTRY
44 INSTRUMENTATION
INCLUDING NUCLEAR AND PARTICLE DETECTORS
66 PHYSICS
BENZALDEHYDE
ENERGY-LOSS SPECTROSCOPY
INNER-SHELL EXCITATION
INNER-SHELL IONIZATION
OSCILLATOR STRENGTHS
PHOSGENE
POLYETHYLENES