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

Table 4.

Spin Hamiltonian parameters (hyperfine coupling constants and g-values) of spin-adducts elucidated from the simulations of experimental EPR spectra obtained upon UVA irradiation (λ_max = 365 nm) of aerated TiO₂ P25 suspensions in organic solvents in the presence of spin traps.

Spin-Adduct	Hyperfine Coupling Constants (mT)		g-Value	Reference
Spin-Adduct	a_NO	a_i	g-Value	Reference
DMSO
^•DMPO–O₂⁻	1.287	a_H^β = 1.041; a_H^γ = 0.139	2.0057	[25,50,83]
^•DMPO–OCH₃	1.329	a_H^β = 0.808; a_H^γ = 0.164	2.0057	[50,84]
^•DMPO–OR	1.301	a_H^β = 1.464	2.0057	[84]
^•DMPO–CH₃	1.462	a_H^β = 2.093	2.0056	[50]
^•DBNBS–CH₃	1.337	a_H(3H) = 1.211; a_H(2H^m) = 0.067	2.0064	[50]
^•DBNBS–CD₃	1.334	a_D(3D) = 0.183; a_H(2H^m) = 0.067	2.0064	[50]
^•DBNBS–SO₃⁻	1.295	a_H(2H^m) = 0.054	2.0064	[85]
ACN
^•DMPO–O₂^{− #}	1.296	a_H^β = 1.044; a_H^γ = 0.133	2.0057	[50,74]
^•DMPO–OH ^#	1.382	a_H^β = 1.200; a_H^γ = 0.080	2.0057	[74]
^•DMPO–OCH₃^#	1.312	a_H^β = 0.796; a_H^γ = 0.179	2.0057	[74]
^•DMPO_degr^#	1.479		2.0056	–
^•ND–CH₂CN	1.342	a_H(2H) = 0.977	2.0057	[86,87]
ND^•+	2.608		2.0057	[50]
Methanol
^•DMPO–O₂^{− #}	1.376	a_H^β = 0.963; a_H^γ = 0.132	2.0057	[50]
^•DMPO–OCH₃^#	1.363	a_H^β = 0.775; a_H^γ = 0.167	2.0057	[50]
^•DMPO–OCH₂OH ^#	1.414	a_H^β = 1.266; a_H^γ = 0.075	2.0057	[50]
^•DMPO–CH₂OH ^#	1.506	a_H^β = 2.116	2.0056	[50]
^•DMPO_degr^#	1.523		2.0056	–
^•ND–CH₂OH	1.387	a_H(2H) = 0.771	2.0057	[62,86,87]
Ethanol
^•DMPO–O₂^{− #}	1.322	a_H^β = 1.050; a_H^γ = 0.133	2.0057	[50]
^•DMPO–OCH₂CH₃^#	1.356	a_H^β = 0.761; a_H^γ = 0.174	2.0057	[50]
^•DMPO–OR ^#	1.470	a_H^β = 1.094; a_H^γ = 0.090	2.0057	[50]
^•DMPO–CR₁^#	1.481	a_H^β = 2.195	2.0056	[50]
^•DMPO–CR₂^#	1.534	a_H^β = 2.215	2.0056	[50]
^•ND–CH(CH₃)OH	1.398	a_H = 0.702	2.0057	[62,86,87]
^•ND–CH₃	1.452	a_H(3H) = 1.345	2.0057	[62,86,87]

^#: post-radiation saturation with argon. Symbols β and γ denote the position of the interacting hydrogen nuclei.