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Rotational Spectrum, Dynamics, and Bond Energy of the Oxirane···Krypton van der Waals Complex

✍ Scribed by Biagio Velino; Aldo Millemaggi; Walther Caminati

Publisher
Elsevier Science
Year
2002
Tongue
English
Weight
104 KB
Volume
215
Category
Article
ISSN
0022-2852

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✦ Synopsis

From the free jet millimeter-wave spectra of four isotopomers of the weakly bonded oxirane• • •Kr complex, information on the equilibrium conformation, dynamics, and dissociation energy has been deduced. A C s symmetry is found for the complex, with Kr lying in the σ v plane of symmetry of oxirane. The equilibrium distance of Kr with respect to the center of mass of bare oxirane is 3.67 Å, with Kr tilted 13.6 • from the perpendicular to the center of mass of the ring toward the oxygen atom. The dissociation energy is estimated, from the centrifugal distortion constant D J , to be ca. 3.1 kJ/mol.

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