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. 2014 Oct 28;19(11):17279–17304. doi: 10.3390/molecules191117279

Table 2.

Spin Hamiltonian parameters (hyperfine coupling constants and g-values) of the spin-adducts elucidated from simulations of the experimental EPR spectra obtained upon UVA irradiation (λmax = 365 nm) of aerated TiO2 P25 suspensions in water and water/dimethylsulfoxide mixed solvent (5:1 v:v) in the presence of the corresponding spin trapping agents.

Spin-Adduct Hyperfine Coupling Constants(mT) g-Value Reference
aNO ai
Water
DMPO–OH 1.497 aHβ = 1.477 2.0057 [50]
DMPO–17OH 1.494 aHβ = 1.480; a17O = 0.469 2.0057 [51,57]
DMPO–N3 1.481 aHβ = 1.426; aN = 0.314 2.0057 [50]
trans-EMPO–OH 1.410 aHβ = 1.278; aHγ = 0.066; aHγ = 0.043 2.0056 [58,59]
cis-EMPO–OH 1.410 aHβ = 1.542 2.0056 [58,59]
EMPOdegr 1.514 aHβ = 2.187 2.0056
trans-DIPPMPO–OH 1.410 aHβ = 1.319; aP = 4.692 2.0055 [59,60]
cis-DIPPMPO–OH 1.646 aHβ = 1.236; aP = 3.572 2.0055 [59,60]
DIPPMPOdegr 1.469 aHβ = 2.147; aP = 4.830 2.0055
POBN–OH 1.508 aHβ = 0.169 2.0057 [44]
POBNdegr 1.461 aHβ = 1.413 2.0055 [61]
Water/DMSO (5:1 v:v)
DMPO–OH 1.469 aHβ = 1.358; aHγ = 0.067 2.0057 [56]
DMPO–CH3 1.588 aHβ = 2.250 2.0055 [50]
DBNBS–CH3 1.434 aH(3H) = 1.331; aH(2Hm) = 0.069; a13C = 0.929 2.0063 [50,62]
DBNBS–CD3 1.434 aD(3D) = 0.201; aH(2Hm) = 0.070 2.0063 [50]

Symbols β and γ denote the position of the interacting hydrogen nuclei.