INNER-SHELL SPECTROSCOPY OF BENZALDEHYDE, TEREPHTHALALDEHYDE, ETHYL BENZOATE, TEREPHTHALOYL CHLORIDE, AND PHOSGENE - MODELS FOR CORE EXCITATION OF POLY(ETHYLENE-TEREPHTHALATE)

被引:99
作者
HITCHCOCK, AP [1 ]
URQUHART, SG [1 ]
RIGHTOR, EG [1 ]
机构
[1] DOW CHEM CO USA,TEXAS POLYMER CTR,FREEPORT,TX 77541
关键词
D O I
10.1021/j100201a015
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Oscillator strengths for C 1s and I 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 Huckel 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.
引用
收藏
页码:8736 / 8750
页数:15
相关论文
共 60 条
  • [1] ADE H, IN PRESS SCIENCE
  • [2] BARRIE A, 1974, J ELECTRON SPECTROSC, V5, P217, DOI 10.1016/0368-2048(74)85013-9
  • [3] BRIBER PM, 1988, J POLYM SCI PP, V26, P621
  • [4] PHOTOEMISSION-STUDY OF THE COPPER POLY(ETHYLENE-TEREPHTHALATE) INTERFACE
    CHTAIB, M
    GHIJSEN, J
    PIREAUX, JJ
    CAUDANO, R
    JOHNSON, RL
    ORTI, E
    BREDAS, JL
    [J]. PHYSICAL REVIEW B, 1991, 44 (19): : 10815 - 10825
  • [5] PI-ELECTRON DELOCALIZATION IN POLY(PARA-PHENYLENE), POLY(PARA-PHENYLENE SULFIDE), AND POLY(PARA-PHENYLENE OXIDE)
    CRECELIUS, G
    FINK, J
    RITSKO, JJ
    STAMM, M
    FREUND, HJ
    GONSKA, H
    [J]. PHYSICAL REVIEW B, 1983, 28 (04): : 1802 - 1808
  • [7] ELECTRON ENERGY-LOSS SPECTROSCOPY AND CHEMICAL-CHANGE
    EGERTON, RF
    CROZIER, PA
    RICE, P
    [J]. ULTRAMICROSCOPY, 1987, 23 (3-4) : 305 - 312
  • [8] EGERTON RF, 1987, 45TH P ANN EMSA M, P122
  • [9] SPECTRAL DISTRIBUTION OF ATOMIC OSCILLATOR STRENGTHS
    FANO, U
    COOPER, JW
    [J]. REVIEWS OF MODERN PHYSICS, 1968, 40 (03) : 441 - +
  • [10] ELECTRONIC-STRUCTURE OF PYRROLE-BASED CONDUCTING POLYMERS - AN ELECTRON-ENERGY-LOSS-SPECTROSCOPY STUDY
    FINK, J
    SCHEERER, B
    WERNET, W
    MONKENBUSCH, M
    WEGNER, G
    FREUND, HJ
    GONSKA, H
    [J]. PHYSICAL REVIEW B, 1986, 34 (02): : 1101 - 1115