Hindered internal rotation in perfluoroalkyl-C[sub 60] radicals
Journal Article
·
· Journal of Physical Chemistry; (United States)
- National Research Council of Canada, Ottawa, Ontario (Canada)
The EPR spectra of a series of perfluoroalkyl-C[sub 60] radicals F[sub 3-n]C(CF[sub 3])[sub n]C[sub 60] (3 [ge] n [ge] 0) are described and discussed. It is concluded that the enthalpy barrier hindering rotation about the C-C[sub 60] bond in CF[sub 3]C[sub 60] is ca. 7 kcal/mol and that in the nonrotating configuration its [sup 19]F nuclei have hyperfine interactions of opposite sign. On the EPR time scale. CF[sub 3]CF[sub 2]C[sub 60] is locked into the symmetric configuration. The equilibrium configuration of (CF[sub 3])[sub 2]CFC[sub 60] is asymmetric, and the barrier between its two enantiomeric forms is ca. 3.5 kcal/mol. In the case of (CF[sub 3])[sub 3]CC[sub 60], the CF[sub 3] groups liberate in synchrony with rotation about the C-C[sub 60] bond. 16 refs., 3 figs., 1 tab.
- OSTI ID:
- 7069596
- Journal Information:
- Journal of Physical Chemistry; (United States), Journal Name: Journal of Physical Chemistry; (United States) Vol. 98:19; ISSN JPCHAX; ISSN 0022-3654
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400102 -- Chemical & Spectral Procedures
400201* -- Chemical & Physicochemical Properties
400500 -- Photochemistry
661300 -- Other Aspects of Physical Science-- (1992-)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
AROMATICS
CARBON
CHEMICAL REACTIONS
DECOMPOSITION
ELECTRON SPIN RESONANCE
ELEMENTS
ENERGY LEVELS
ENTHALPY
EXCITED STATES
FLUORINATED AROMATIC HYDROCARBONS
FULLERENES
HALOGENATED AROMATIC HYDROCARBONS
MAGNETIC RESONANCE
MOLECULAR STRUCTURE
NONMETALS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
PHYSICAL PROPERTIES
RADICALS
RESONANCE
ROTATIONAL STATES
THERMODYNAMIC PROPERTIES
400102 -- Chemical & Spectral Procedures
400201* -- Chemical & Physicochemical Properties
400500 -- Photochemistry
661300 -- Other Aspects of Physical Science-- (1992-)
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
AROMATICS
CARBON
CHEMICAL REACTIONS
DECOMPOSITION
ELECTRON SPIN RESONANCE
ELEMENTS
ENERGY LEVELS
ENTHALPY
EXCITED STATES
FLUORINATED AROMATIC HYDROCARBONS
FULLERENES
HALOGENATED AROMATIC HYDROCARBONS
MAGNETIC RESONANCE
MOLECULAR STRUCTURE
NONMETALS
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
PHYSICAL PROPERTIES
RADICALS
RESONANCE
ROTATIONAL STATES
THERMODYNAMIC PROPERTIES