Semirigid model of the bending-rotational Hamiltonian in electron diffraction analysis of triatomic molecules. I. Theory
Journal Article
·
· J. Struct. Chem. (Engl. Transl.); (United States)
OSTI ID:5710522
In order to investigate the structure and to determine the parameters of the potential functions for triatomic molecules of the XY/sub 2/ type using the gas electron diffraction method, the authors have proposed a semirigid model for the bending-rotational Hamiltonian, which has been previously applied in the analysis of vibrational-rotational spectra. The authors have obtained relationships for the statistical probability density distribution functions for the internal coordinates and the electron scattering intensities, taking into account the effects of vibrational-rotational coupling, kinematic and dynamic anharmonicity of the vibrations. The proposed approach does not require a priori knowledge of the symmetry of the equilibrium configuration, and may be used in electron diffraction studies of arbitrary molecules of the XY/sub 2/ type.
- OSTI ID:
- 5710522
- Journal Information:
- J. Struct. Chem. (Engl. Transl.); (United States), Journal Name: J. Struct. Chem. (Engl. Transl.); (United States) Vol. 27:5; ISSN JSTCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ADIABATIC APPROXIMATION
AMPLITUDES
ATOMIC MODELS
COHERENT SCATTERING
DIFFRACTION
DISTRIBUTION FUNCTIONS
ELECTRON DIFFRACTION
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY LEVELS
EXCITED STATES
FERMIONS
FUNCTIONS
HAMILTONIANS
KINETIC ENERGY
LEPTONS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MECHANICS
MOLECULAR MODELS
MOLECULES
POLYATOMIC MOLECULES
POTENTIAL ENERGY
QUANTUM MECHANICS
QUANTUM OPERATORS
ROTATIONAL STATES
SCATTERING
SCATTERING AMPLITUDES
STATISTICAL MECHANICS
VIBRATIONAL STATES
400201 -- Chemical & Physicochemical Properties
640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ADIABATIC APPROXIMATION
AMPLITUDES
ATOMIC MODELS
COHERENT SCATTERING
DIFFRACTION
DISTRIBUTION FUNCTIONS
ELECTRON DIFFRACTION
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY LEVELS
EXCITED STATES
FERMIONS
FUNCTIONS
HAMILTONIANS
KINETIC ENERGY
LEPTONS
MATHEMATICAL MODELS
MATHEMATICAL OPERATORS
MECHANICS
MOLECULAR MODELS
MOLECULES
POLYATOMIC MOLECULES
POTENTIAL ENERGY
QUANTUM MECHANICS
QUANTUM OPERATORS
ROTATIONAL STATES
SCATTERING
SCATTERING AMPLITUDES
STATISTICAL MECHANICS
VIBRATIONAL STATES