The cndo/Force method has been employed in the determination of quadratic potential functions for the complexes of lithium cation with formaldehyde and formamide. The O, Li+ stretching frequency and the COLi+ bending frequencies have been estimated after scaling, the stretching and stretch-stretch elements of the force constant matrix. The transferability of the donor potential function to the complex has been verified.
|Number of pages||11|
|Journal||Proceedings of the Indian Academy of Sciences - Chemical Sciences|
|Publication status||Published - Dec 1982|
- cndo/Force method
- compliance constants
- Ion-molecular interactions