VALENCE EXCITATION OF LINEAR-MOLECULES .2. EXCITATION AND UV SPECTRA OF C2N2, CO2 AND N2O

被引:74
作者
FRIDH, C
ASBRINK, L
LINDHOLM, E
机构
[1] Department of Physics, The Royal Institute of Technology
关键词
D O I
10.1016/0301-0104(78)88002-1
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
Valence excitation energies of C2N2, CO2 and N2O are calculated by use of the new quantum-chemical method HAM/3. The high-intensity ππ*1 Σ+ transitions have been identified. These results have made possible new interpretations of a number of Rydberg transitions. Photoelectron spectrum and electron impact energy loss spectrum of C2N2 have been studied experimentally. © 1978.
引用
收藏
页码:169 / 181
页数:13
相关论文
共 57 条
  • [1] Allan C. J., 1972, Journal of Electron Spectroscopy and Related Phenomena, V1, P131, DOI 10.1016/0368-2048(72)80027-6
  • [2] HAM-3, A SEMIEMPIRICAL MO THEORY .I. SCF METHOD
    ASBRINK, L
    FRIDH, C
    LINDHOLM, E
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 52 (01) : 63 - 68
  • [3] HAM-3, A SEMIEMPIRICAL MO THEORY .2. PHOTOELECTRON-SPECTRA
    ASBRINK, L
    FRIDH, C
    LINDHOLM, E
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 52 (01) : 69 - 71
  • [4] VALENCE EXCITATION OF LINEAR-MOLECULES .1. EXCITATION AND UV SPECTRA OF N2, CO, ACETYLENE AND HCN
    ASBRINK, L
    FRIDH, C
    LINDHOLM, E
    [J]. CHEMICAL PHYSICS, 1978, 27 (02) : 159 - 168
  • [5] HAM-3, A SEMIEMPIRICAL MO THEORY .3. UNOCCUPIED ORBITALS
    ASBRINK, L
    FRIDH, C
    LINDHOLM, E
    [J]. CHEMICAL PHYSICS LETTERS, 1977, 52 (01) : 72 - 75
  • [6] ELECTRONIC SPECTRUM OF CYANOGEN
    BELL, S
    CARTWRIG.GJ
    FISH, GB
    OHARE, DO
    RITCHIE, RK
    WALSH, AD
    WARSOP, PA
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1969, 30 (01) : 162 - &
  • [7] RYDBERG STATES OF POLYATOMIC-MOLECULES USING MODEL POTENTIALS
    BETTS, TC
    MCKOY, V
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (08) : 2947 - 2952
  • [8] THEORETICAL PHOTOELECTRON-SPECTRUM OF CYANOGEN BY A GREEN-FUNCTION METHOD
    CEDERBAUM, LS
    DOMCKE, W
    VONNIESSEN, W
    [J]. CHEMICAL PHYSICS, 1975, 10 (2-3) : 459 - 470
  • [9] THEORETICAL INTERPRETATION OF OPTICAL AND ELECTRON-SCATTERING SPECTRA OF POLYATOMIC-MOLECULES .3. N20 AND DISCOVERY OF RESONANT PHENOMENA IN B REGION AT 6.8 EV
    CHUTJIAN, A
    SEGAL, GA
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (08) : 3069 - &
  • [10] VACUUM ULTRAVIOLET SPECTROSCOPY OF CYANOGEN AND CYANOACETYLENES
    CONNORS, RE
    ROEBBER, JL
    WEISS, K
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (12) : 5011 - 5024