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Activation of SO2 by N/Si+ and N/B Frustrated Lewis Pairs: Experimental and Theoretical Comparison with CO2 Activation

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Academic year: 2021

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Figure

Figure  1.  Molecular  structures  of  [a]  TBD–SO 2 2,  [b]  TBD–SiMe 2 –SO 2
Table  2.  Calculated  Gibbs  free  energy  difference  for  the  formation  of  different ZO 2 – guanidine adducts (Z = C or S)
Table  4.  Calculated  deformation  energy  of  the  starting  materials  for  the  formation of different ZO 2 – guanidine adducts (Z = C or S)
Figure 3. Interactions of the N 1  lone pair in TBD – BCy 2 –ZO 2  adducts from NBO  calculations  (Z  =  C  or  S,  hydrogens  and  cyclohexyl  groups  are  omitted  for  clarity)

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