ESR study of the CF/sub 3/xxxF radical in irradiated trifluoroacetamide single crystals

Journal Article · Thu Jun 01 00:00:00 EDT 1978 · J. Chem. Phys.; (United States)

OSTI ID:6939639

Kalyanaraman, B; Kispert, L D

ESR and deuteration studies of x-irradiated trifluroacetamide crystals at 77 /sup 0/K show that the CF/sub 3/(A) radical initially formed interacts with a fluorine nucleus on a neighboring molecule, resulting in an additional fluorine doublet of A/sub z/=10 G, A/sub y/< or =A/sub x/< or =1 G. This previously unobserved spectrum decays with time at 77 /sup 0/K and is irreversibly replaced by the ESR spectrum of CF/sub 3/(B) that is stable to 200 /sup 0/K. Based on an INDO calculation, the formation of CF/sub 3/(A) occurs when the crystallographic intermolecular FxxxCF/sub 3/ distance in the parent compound decreases from 3.77 to 2.4 A upon radical formation at 77 /sup 0/K. Following the formation of CF/sub 3/(A), the FxxxCF/sub 3/ distance increases with time or temperature to approximately 3.0 A.

• Research Organization: Department of Chemistry, The University of Alabama, Tuscaloosa, Alabama 35486
• OSTI ID: 6939639
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 68:11; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
400600* -- Radiation Chemistry
CHEMICAL RADIATION EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
DECOMPOSITION
ELECTROMAGNETIC RADIATION
ELECTRON SPIN RESONANCE
IONIZING RADIATIONS
MAGNETIC RESONANCE
ORGANIC COMPOUNDS
ORGANIC FLUORINE COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
RADIATION CHEMISTRY
RADIATION EFFECTS
RADIATIONS
RADICALS
RADIOLYSIS
RESONANCE
X RADIATION