Rotational energy surfaces and high-J eigenvalue structure of polyatomic molecules

Journal Article · Tue May 01 04:00:00 EDT 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.447255· OSTI ID:6584962

Harter, W G; Patterson, C W

A rotational analog of the vibrational potential energy surface is introduced for describing the rotational fine structure of polyatomic molecules. Classical trajectories on rotational energy (RE) surfaces are related to quantum rotational eigenvalue structure. Interpretation of RE surfaces shows how very different types of molecules may undergo dynamical symmetry breaking and a corresponding clustering of rotational energy sublevels for high angular momentum (J>10). Cluster splitting and spacing are calculated using semiclassical quantization methods. Some consequences of dynamical symmetry breaking such as mixing of nuclear spin species are discussed qualitatively.

• Research Organization: School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332
• OSTI ID: 6584962
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 80:9; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640305* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Theory-- (-1987)
74 ATOMIC AND MOLECULAR PHYSICS
ANGULAR MOMENTUM
EIGENVALUES
ENERGY LEVELS
EXCITED STATES
MOLECULES
POLYATOMIC MOLECULES
ROTATIONAL STATES
SYMMETRY BREAKING