CCL: Predominantly covalent(ionic) bonds from NBO analysis

Hello,

We can say, from the NBO results below, that C-Ti bond is Predominantly covalent, and that of C-Sn has an ionic character ?âthank you very much;


3. (1.82174) BD ( 1) C  1-Ti 1

         ( 58.83%)   0.7670* C  1             s( 25.33%)p 2.95( 74.65%)d 0.00(  0.02%)
          ( 41.17%)   0.6416*Ti 2               s( 17.26%)p 0.00(  0.04%)d 4.79( 82.70%)


5. (1.96486) BD ( 1) C  3-Sn 1      
               ( 75.13%)   0.8668* C  3          s( 26.35%)p 2.79( 73.58%)d 0.00(  0.07%)
                ( 24.87%)   0.4987*Sn 1          s( 23.27%)p 3.29( 76.56%)d 0.01(  0.17%)






may abdelghani
Laboratoire de chimie des matÃriaux et des vivants: ActivitÃ, RÃactivitÃ