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Photoelectron spectra of some compounds containing the trifluoromethyl group
Author(s) -
Cvitaš T.,
Novak I.,
Klasinc L.
Publication year - 1987
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560320772
Subject(s) - trifluoromethyl , atomic orbital , chemistry , spectral line , molecule , fluorine , x ray photoelectron spectroscopy , group (periodic table) , molecular orbital , crystallography , computational chemistry , organic chemistry , nuclear magnetic resonance , physics , alkyl , quantum mechanics , astronomy , electron
The HeI and HeII photoelectron spectra of CF 3 Cl, CF 3 Br, CF 3 I, CF 3 CCH, CF 3 CCl 3 , CF 3 COOH, CF 3 COOCH 3 , CF 3 COOCF 3 , CF 3 COOH 2 COCH 3 , (CF 3 ) 2 CHOH, CF 3 CH 2 OH, 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 “CF 3 ‐group orbitals.” The results indicate that the electronic structure of the CF 3 group remains rather unaffected by the rest of the molecule.
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