Corrigendum: Non-Spherical Ion Dynamics and Rotational Diffusion for Imidazolium Based Ionic Liquids


  • Dr. Gordon W. Driver,

  • Dr. Petri Ingman


This article corrects:

  1. Non-Spherical Ion Dynamics and Rotational Diffusion for Imidazolium Based Ionic Liquids Volume 12, Issue 4, 757–760, Article first published online: 2 February 2011

Utilising the method we reported in ChemPhysChem2011, 12, 757–760 in subsequent work led to the discovery of errors in some of the equations used and reported. This corrigendum corrects the affected equations, and reproduces key results (shown in Table 1 and Figure 1, which correspond to Table 1 and Figure 1 in ref. 1) using the corrected equations.

Equations (5) and (6) contain the same error in the denominator of the first term. equation image… should read equation image…, with n = 4 and 12, for Equations (5) and (6), respectively. Additionally, δ33 should be replaced with δ11 in Equation (4).

Re-evaluation of the experimental T1 data yielded two solutions for θ and associated Dx, Dy and D values. The second solution was deemed physically impossible as it produced values of DxDy to <3%.

Table 1 gives the corrected values according to DDyDx. Figure 1 gives τ2,calc. values.

Table 1. Experimental and calculated values for averaged C4 and C5 13C relaxation of [Hmim]+, using θ and the calculated rotational diffusion tensor, 373 K.
 14.09 T11.74 TDi [rad2 s−1 (i =x, y, ⟂)
R1=1/T1 [s−1]   
|% error|4.301.87D=9.75×107
R1CSA=1/T1CSA [s−1]  θ=41.20°
Experimental0.27840.2220τ2,DD,exp.=20.49 ps*
Calculated0.29320.2036τ2,DD,calc.=20.89 ps*
|% error|5.308.28|% error|=1.98*
R1DD=1/T1DD [s−1]  τ2,CSA,exp.=172.63 ps**
Experimental0.68270.7082τ2,CSA,calc.=169.25 ps**
Calculated0.70910.7091|% error|=1.95**
|% error|3.890.133ηCSA=1.026, δ11=80.22 ppm
Figure 1.

Values of τ2,DD,calc. and τ2,CSA,calc. calculated using corrected Dx, Dy and D as a function of θ.

The corresponding author sincerely apologises for these oversights.