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Relationship between least-squares-surface and celles-darling's hyperspherical coordinates

✍ Scribed by Gregory A Natanson


Book ID
103024114
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
544 KB
Volume
134
Category
Article
ISSN
0009-2614

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✦ Synopsis


The Canington-Miller reaction-surface approach to a nearly collinear reaction in a triatomic system is used to substantiate the bending-corrected rotating linear model of Walker and Hayes. To avoid couplings between mutually perpendicular bending vibrations the change of variables suggested by Carrington and Miller is slightly modified by describing overall rotation of the triatomic by means of the body-fixed frame with the polar angle of the double degenerate bending mode used as the third Euler angle. It is proved that axes of the frame defined in such a way are directed along the principal axes of the triatomic and that the appropriate parameterization of the collinear reaction surface leads to Celles-Darling's hyperspherical coordinates c, 9, x.