ELECTRON SPIN RESONANCE OF AN X-RAY IRRADIATED SINGLE CRYSTAL OF DIKETOPIPERAZINE

1963 ◽  
Vol 41 (1) ◽  
pp. 9-13 ◽  
Author(s):  
W. C. Lin ◽  
C. A. McDowell

The electron spin resonance of an X-ray irradiated single crystal of diketopiperazine has been measured at 9 Gc/sec for various orientations of the crystal in the static magnetic field. From an analysis of the hyperfine structure observed we have been able to calculate the components of the hyperfine interaction tensor for the radical produced by the irradiation. The principal values for the hyperfine interaction tensor are similar to those found for the radical produced by the X-ray or γ-ray irradiation of glycylglycine and N-acetylglycine and is therefore attributed to a radical with a C—H fragment. The fine details of the spectrum indicate that the radical responsible for the electron resonance observed probably has the structure [Formula: see text]which is formed from diketopiperazine by the loss of a hydrogen atom from one of the CH2 groups in that molecule.

1962 ◽  
Vol 40 (6) ◽  
pp. 1060-1063 ◽  
Author(s):  
W. C. Lin ◽  
C. A. McDowell

The electron spin resonance of an X-ray-irradiated single crystal of dl-alanine hydrochloride indicates that the radical formed is probably the same as that produced by X- and γ-ray irradiation of alanine. The components of the hyperfine interaction tensor for the radical have been evaluated.


1966 ◽  
Vol 10 (6) ◽  
pp. 565-573 ◽  
Author(s):  
Marlene Hampton ◽  
F.G. Herring ◽  
W.C. Lin ◽  
C.A. McDowell

1996 ◽  
Vol 375 (1-2) ◽  
pp. 105-115 ◽  
Author(s):  
Shirley A. Fairhurst ◽  
Duncan G. Gillies ◽  
Glen W. Smith ◽  
Leslie H. Sutcliffe ◽  
Xiaoping Wu

The parameters of a spin Hamiltonian for the description of electron spin resonance spectra of oriented radicals, trapped in crystalline solids, are described within an approximate electron propagator framework. Only radicals in doublet states are considered, so that the pertinent parameters are the g-tensor, the hyperfine interaction tensor and the quadrupole interaction tensor. Various semiempirical approaches are discussed and a number of calculations are carried out in the energy weighted maximum overlap model (e. w. m. o.). Particularly satisfactory results were obtained for the g-tensors and ‘central’ atom hyperfine interaction tensors.


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