Donor(i)-Acceptor(j)

interaction [Cr^III(AC)₃]⁰

$E_{ij}^{\left(2\right)}$

(kcal·mol⁻¹)

Donor(i)-Acceptor(j) interaction [Cr^VI(AC)₃]³⁺

$E_{ij}^{\left(2\right)}$ (kcal·mol⁻¹)

${\text{LP}}_{\text{O1}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.07

LP_O1→LP^*_Cr

14.35

${\text{LP}}_{\text{O2}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.09

LP_O2→LP^*_Cr

17.34

${\text{LP}}_{\text{O3}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.07

LP_O3→LP^*_Cr

14.48

${\text{LP}}_{\text{O4}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.11

LP_O4→LP^*_Cr

17.39

${\text{LP}}_{\text{O5}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.11

LP_O5→LP^*_Cr

17.25

${\text{LP}}_{\text{O6}}\to {\text{LP}}_{\text{Cr}}^{\ast }$

6.07

LP_O6→LP^*_Cr

17.14

${\displaystyle \sum E_{ij}^{\left(2\right)}}=36.52$

${\displaystyle \sum E_{ij}^{\left(2\right)}}=97.95$