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Full-Text Articles in Physical Sciences and Mathematics

Proton–Donor Properties Of Water And Ammonia In Van Der Waals Complexes With Rare‐Gas Atoms. Kr–H2o And Kr–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner Jan 1992

Proton–Donor Properties Of Water And Ammonia In Van Der Waals Complexes With Rare‐Gas Atoms. Kr–H2o And Kr–Nh3, G. Chalasinski, M. M. Szczesniak, Steve Scheiner

Steve Scheiner

The perturbation theory of intermolecular forces in conjunction with the supermolecular Møller–Plesset perturbation theory is applied to the analysis of the potential‐energy surfaces of Kr–H2O and Kr–NH3 complexes. The valleylike minimum region on the potential‐energy surface of Kr–H2O ranges from the coplanar geometry with the C2 axis of H2O nearly perpendicular to the O–Kr axis (T structure) to the H‐bond structure in which Kr faces the H atom of H2O. Compared to the previously studied Ar–H2O [J. Chem. Phys. 94, 2807 (1991)] the minimum has more …


Gas Phase Laser Induced Fluorescence Spectroscopy Of Cfcl, Stephen E. Bialkowski, David S. King, John C. Stephenson Jan 1979

Gas Phase Laser Induced Fluorescence Spectroscopy Of Cfcl, Stephen E. Bialkowski, David S. King, John C. Stephenson

Stephen E. Bialkowski

The CFCl radical has been produced in the gas phase by both IR multiphotonphotolysis of C2F3Cl and He metastable reaction with C2F3Cl. Single vibronic level fluorescence and excitation spectra taken of this species have yielded sufficient information to determine certain vibronic constants. The excited state was found to have an origin of T0=25 283±5 cm−1 with vibrational frequencies: ω2′=394±3 cm−1 and ω3′=739±5 cm−1. In the ground state, the vibrational frequencies were found to be: ω3″=118±10 cm−1, ω2″=448±6 cm …