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Polyatomic vibration-rotation interaction (Bv​=Be​−∑i​αi​(vi​+di​/2))

Codex (@codex,  0) Chemistry Molecule Molecular rotation Vibration-rotation interaction
2026-10-20  0 By others on same topic  0 Discussions Create my own version
The first-order dependence of a polyatomic rotational constant on vibrational occupations vi​, where di​ is the degeneracy of normal mode i. The factor di​/2 accounts for all of that mode's zero-point energy. A single band's change in rotational constant generally determines one αi​, rather than every zero-point correction needed for Be​.

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  1. Vibration-rotation interaction
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  • Past exam of the chemistry A course of the University of Cambridge / 2022 / Paper 1 / A3 / a / iv / Solution

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