TY - JOUR
T1 - Photoelectron spectra of some compounds containing the trifluoromethyl group
AU - Cvitaš, T.
AU - Novak, I.
AU - Klasinc, L.
PY - 1987
Y1 - 1987
N2 - The HeI and HeII photoelectron spectra of CF3Cl, CF3Br, CF3I, CF3CCH, CF3CCl3, CF3COOH, CF3COOCH3, CF3COOCF3, CF3COOH2COCH3, (CF3)2CHOH, CF3CH2OH, trifluoromethyltoluene, and 2, 4, 6‐tris(trifluoromethyl)‐1, 3, 5‐triazine have been recorded under low and high resolution. Special attention has been paid to ionizations arising from MO's with a significant contribution of fluorine atomic orbitals. HeII/HeI intensity comparisons were also useful in the assignment of “CF3‐group orbitals.” The results indicate that the electronic structure of the CF3 group remains rather unaffected by the rest of the molecule.
AB - The HeI and HeII photoelectron spectra of CF3Cl, CF3Br, CF3I, CF3CCH, CF3CCl3, CF3COOH, CF3COOCH3, CF3COOCF3, CF3COOH2COCH3, (CF3)2CHOH, CF3CH2OH, trifluoromethyltoluene, and 2, 4, 6‐tris(trifluoromethyl)‐1, 3, 5‐triazine have been recorded under low and high resolution. Special attention has been paid to ionizations arising from MO's with a significant contribution of fluorine atomic orbitals. HeII/HeI intensity comparisons were also useful in the assignment of “CF3‐group orbitals.” The results indicate that the electronic structure of the CF3 group remains rather unaffected by the rest of the molecule.
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U2 - 10.1002/qua.560320772
DO - 10.1002/qua.560320772
M3 - Article
AN - SCOPUS:84990666085
SN - 0020-7608
VL - 32
SP - 737
EP - 742
JO - International Journal of Quantum Chemistry
JF - International Journal of Quantum Chemistry
IS - 21 S
ER -