The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Low spin ferric hemoglobin complexes》. Authors are Harris, Gilda.The article about the compound:8-Bromoguaninecas:3066-84-0,SMILESS:NC(N1)=NC(NC(Br)=N2)=C2C1=O).Electric Literature of C5H4BrN5O. Through the article, more information about this compound (cas:3066-84-0) is conveyed.
A calculation has been made of the energy eigenfunctions and eigenvalues of low-spin ferric ion in complexes with a strong cubic crystal field including the effects of tetragonal and rhombic distortions and of spin-orbit coupling among the ground state components and with excited states. Using the resultant, spin-orbit coupled eigenfunctions as a basis set, the magnetic susceptibility, the components of magnetic field energy, and the lattice and valence contributions to an elec. field gradient at the iron nucleus were all calculated as a function of rhombic, tetragonal, and spin-orbit coupling strength used as parameters: R, u, and δ. All of the calculated results agree reasonably well with exptl. for the values of parameters R = 1000 cm.-1 u = 2000 cm.-1, and the free ion value δ= 420 cm.-1 These values of parameters were selected for the excellent fit they gave of the calculated values of gx, gy, and gz compared with the exptl. ones obtained from single crystal ESR of ferriHb azide. With them, a value of 2.29 μB was calculated for the effective magnetic moment compared to the exptl. value of 2.35. The total field gradient calculated under the same conditions predicts a nuclear quadrupole moment Q in the range of 0.107-0.127 barns, which is smaller than the range predicted from the high spin ferric ion results. Reasons for the discrepancy are discussed. 16 references
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Reference:
Tetrahydrofuran – Wikipedia,
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