Photoelectron spectra of some compounds containing the trifluoromethyl group

T. Cvitaš, I. Novak, L. Klasinc

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)737-742
Number of pages6
JournalInternational Journal of Quantum Chemistry
Volume32
Issue number21 S
DOIs
Publication statusPublished - 1987

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