By carrying out a DFT calculation with LANL2DZ basis set for a mixed-ligand complex of Cd, the results showed a bond length of 4.3 A for Cd-O coordination bond. Is that possible for a coordination bond to be about 4.3 A??
Seems to long. Either there's really no (very weak) interaction, or your method/basis set can't describe it properly. Start again with a geometry where Cd is close to O but switch to a different ECP basis set for Cd, or better switch to an all-electron basis set for Cd (the calculations will take 2-3 times longer though).
Prof. Dr. Bartosz Trzaskowski, Thank you very much for your answer.
May you recommend a suitable level of theory that can carry out the calculation more efficiently for my example.
Sure.
As for DFT, use one of the newer functionals (M06 class), though that shouldn't be that crucial.
For different basis sets: try Stuttgart RSC 1997 ECP, Def2-TZVP and perhaps on ot he augmented basis sets (aug-cc-pVTZ?) for Cd. If that doesn't work try the all-electron basis sets for Cd, like DZP or WTBS. And use at least double-zeta + polarization basis sets for all other atoms.
All basis sets should be available from https://bse.pnl.gov/bse/portal
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