ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560320772
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