From symmetry and geometry arguments, the symmetry adapted vibrational redundant coordinates for the molecule of buckminsterfullerene have been obtained as linear combinations of simple internal valence coordinates.
Vibrational motions of buckminsterfullerene
✍ Scribed by Z.C. Wu; Daniel A. Jelski; Thomas F. George
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 349 KB
- Volume
- 137
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
A non-Cartesian coordinate system is developed which permits the vibrational motions of Buckminsterfullerene to be expressed in terms of four force constants. A 180 x 180 matrix is then derived which, when diagonalized, yields the complete vibrational spectrum. These results are compared with those obtained previously via a MNDO calculation.
📜 SIMILAR VOLUMES
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The Maxwell-Boltzmann distribution IS used to calculated,,,,, for the proposed icosahedrally symmetric structure of Cm called buckminsterfullerene. The results are used with calculated rotation-vibration scalar coupling [coefficients to make predictions for the dipole active rovibrational band shape