Free and binary rotation of polyatomic molecules

A modification of the quantum-mechanical theory of rotation of polyatomic molecules (binary rotation) is proposed, which is based on the algebra and representations of the SO(4) group and allows the introduction of the concept of parity, as in atomic spectroscopy. It is shown that, if an asymmetric...

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Bibliographic Details
Published in:Quantum electronics (Woodbury, N.Y.) N.Y.), 2003-11, Vol.33 (11), p.1022-1028
Main Author: Konyukhov, V K
Format: Article
Language:English
Subjects:
ADSORPTION
ANGULAR MOMENTUM
ATOMIC AND MOLECULAR PHYSICS
CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
DATA
ELECTRIC FIELDS
ENERGY LEVELS
EXCITED STATES
EXPERIMENTAL DATA
HYDROGEN COMPOUNDS
INFORMATION
ISOMERS
LIE GROUPS
MECHANICS
MOLECULES
MOTION
NUMERICAL DATA
OXYGEN COMPOUNDS
PARITY
PARTICLE PROPERTIES
QUADRUPOLE MOMENTS
QUANTUM MECHANICS
ROTATION
ROTATIONAL STATES
SO GROUPS
SO-4 GROUPS
SORPTION
SPECTROSCOPY
SPIN
SURFACES
SYMMETRY GROUPS
WATER
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Summary:A modification of the quantum-mechanical theory of rotation of polyatomic molecules (binary rotation) is proposed, which is based on the algebra and representations of the SO(4) group and allows the introduction of the concept of parity, as in atomic spectroscopy. It is shown that, if an asymmetric top molecule performing binary rotation finds itself in a spatially inhomogeneous electric field, its rotational levels acquire the additional energy due to the quadrupole moment. The existence of the rotational states of polyatomic molecules that cannot transfer to the free rotation state is predicted. In particular, the spin isomers of a water molecule, which corresponds to such states, can have different absolute values of the adsorption energy due to the quadrupole interaction of the molecule with a surface. The difference in the adsorption energies allows one to explain qualitatively the behaviour of the ortho- and para-molecules of water upon their adsorption on the surface of solids in accordance with experimental data. (laser applications and other topics in quantum electronics)
ISSN:1063-7818
1468-4799
DOI:10.1070/QE2003v033n11ABEH002544