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Effects of curvilinear motion in large-amplitude bending of C3The geometry of the bending of a linear triatomic molecule is analyzed, and an expression for the average rotational constant is derived. A harmonic oscillator model of C3 is fitted to the observed rotational constant within 0.6%. The bond distance between atoms at zero bending is 1.287 A according to this model; this is noticeably larger than the average internuclear distance of 1.277 A for the vibrational ground state. The first order perturbation solutions for the vibrational energy levels, taking into account the effect of a quartic perturbation potential, closely match observed levels. For a square well potential model of C3, the effect of curvilinear motion in bending is similar to that found for the harmonic oscillator model, though the decreases in energy are about twice as large. In both models, the average energy decrease is relatively constant at approximately 10% over a wide range of vibrational quantum number.
Document ID
19740041791
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
External Source(s)
Authors
Hansen, C. F.
Pearson, W. E.
(NASA Ames Research Center Moffett Field, Calif., United States)
Henderson, B. J.
(Florida Technological University Orlando, Fla., United States)
Date Acquired
August 7, 2013
Publication Date
February 1, 1974
Publication Information
Publication: Journal of Chemical Physics
Volume: 60
Subject Category
Physics, Atomic, Molecular, And Nuclear
Accession Number
74A24541
Distribution Limits
Public
Copyright
Other

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