“…The Hamiltonian functions reported in the literature were used to describe the free radicals dispersed in the organic matrices and 1D nanochannels. ,,− Previously reported calculation methods were followed to describe the system where PMMA was used as the organic matrix. NO, 2- X -NN, 4- Y -PhBzNN, and 2- Z -IN radicals in the matrices were characterized as follows using the spin Hamiltonian: where β e , B , g , A (N i ), A (H j ), β n , g n (N i ), g n (H j ), Ŝ , and Î denote the Bohr magneton; laboratory magnetic flux density vector; electron spin g tensor; hyperfine tensor for the i th 14 N nucleus of the NO, 2- X -NN, 4- Y -PhBzNN, and 2- Z -IN radicals ( i = 1 or 2); superhyperfine tensor of j th 1 H nucleus of 4- Y -PhBzNN ( j = α, β, o , m , or p ; the protons at α and α′, β and β′, o and o ′, or m and m ′ are equivalent due to molecular symmetry; Figure c); nuclear magneton; nuclear spin g tensor of the i th 14 N nucleus of the NO, 2- X -NN, 4- Y -PhBzNN, and 2- Z -IN radicals; nuclear spin g tensor of the j th 1 H nucleus of 4- Y -PhBzNN; electron spin operator; and nuclear spin operator, respectively.…”