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Effective rotational constants of a triatomic molecule

Sergei V. Petrov

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Abstract

In this paper we examine the classical mechanics of rovibrational interaction in a model of triatomic molecules, in which a bending mode interacts with the three-dimensional molecular rotation. In the rigid bender model used, both bond lengths are assumed frozen, and rovibrational coupling occurs only via the dependence of rotational constants on the bending coordinate. Although several quantum-mechanical calculations of rovibrational states have been performed for low-lying excited states, the study of highly excited states necessitates a classical approach.

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In this paper we examine the classical mechanics of rovibrational interaction in a model of triatomic molecules, in which a bending mode interacts with the three-dimensional molecular rotation. In the rigid bender model used, both bond lengths are assumed frozen, and rovibrational coupling occurs only via the dependence of rotational constants on the bending coordinate. Although several quantum-mechanical calculations of rovibrational states have been performed for low-lying excited states, the study of highly excited states necessitates a classical approach.

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Available abstract

In this paper we examine the classical mechanics of rovibrational interaction in a model of triatomic molecules, in which a bending mode interacts with the three-dimensional molecular rotation. In the rigid bender model used, both bond lengths are assumed frozen, and rovibrational coupling occurs only via the dependence of rotational constants on the bending coordinate. Although several quantum-mechanical calculations of rovibrational states have been performed for low-lying excited states, the study of highly excited states necessitates a classical approach.

Key concepts: Rotational–vibrational spectroscopy, Triatomic molecule, Excited state, Physics, Rotation (mathematics), Atomic physics, Bending, Quantum

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