Equations are presented for the inertial tensor components of a weakly bound complex in terms of intermolecular coordinates and moments of inertia of the individual moieties. The results are a generalization of similar equations presented in the literature for specific geometries, and allow for the use of up to three angles to specify the orientation of an asymmetric rotor within a complex. The angles chosen are well suited to describing the large amplitude motion characteristic of weakly bound complexes and the resulting expressions should be useful in the analysis of the rotational constants of weakly bound systems with complicated geometries.
Bibliographical noteFunding Information:
This work was supported by the National Science Foundation (Grant No. CHE 0845290).
- Inertial tensor
- Molecular structure
- Rotational constant
- Weakly bound complex