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Rotationally Resolved Infrared Spectrum Of The Li+_D2 Cation Complex, C D. Thompson, C Emmeluth, B L. J Poad, G H. Weddle, E J. Bieske
Rotationally Resolved Infrared Spectrum Of The Li+_D2 Cation Complex, C D. Thompson, C Emmeluth, B L. J Poad, G H. Weddle, E J. Bieske
Berwyck L. J. Poad
The infrared spectrum of mass selected Li +-D 2 cations is recorded in the D-D stretch region (2860-2950 cm -1) in a tandem mass spectrometer by monitoring Li + photofragments. The D-D stretch vibration of Li +-D 2 is shifted by -79 cm -1 from that of the free D 2 molecule indicating that the vibrational excitation of the D 2 subunit strengthens the effective Li +-D 2 intermolecular interaction. Around 100 rovibrational transitions, belonging to parallel K a=0-0, 1-1, and 2-2 subbands, are fitted to a Watson A-reduced Hamiltonian to yield effective molecular parameters. The infrared spectrum shows that …
Rotationally Resolved Infrared Spectrum Of The Na+-D2 Complex: An Experimental And Theoretical Study, Berwyck L. Poad, V Dryza, J Klos, A A. Buchachenko, E J. Bieske
Rotationally Resolved Infrared Spectrum Of The Na+-D2 Complex: An Experimental And Theoretical Study, Berwyck L. Poad, V Dryza, J Klos, A A. Buchachenko, E J. Bieske
Berwyck L. J. Poad
The infrared spectrum of mass-selected Na+-D2 complexes is recorded in the D-D stretch vibration region (2915-2972 cm−1) by detecting Na+ photofragments resulting from photo-excitation of the complexes. Analysis of the rotationally resolved spectrum confirms a T-shaped equilibrium geometry for the complex and a vibrationally averaged intermolecular bond length of 2.461 Å. The D-D stretch band centre occurs at 2944.04 cm−1, representing a −49.6 cm−1 shift from the Q1(0) transition of the free D2 molecule. Variational rovibrational energy level calculations are performed for Na+-D2 utilising an ab initio potential energy surface developed previously for investigating the Na+-H2 complex [B. L. J. …
Spectroscopic Study Of The Benchmark Mn+-H2 Complex, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske
Spectroscopic Study Of The Benchmark Mn+-H2 Complex, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske
Berwyck L. J. Poad
We have recorded the rotationally resolved infrared spectrum of the weakly bound Mn+-H2 complex in the H-H stretch region (4022-4078 cm(-1)) by monitoring Mn+ photodissociation products. The band center of Mn+-H2, the H-H stretch transition, is shifted by -111.8 cm(-1) from the transition of the free H2 molecule. The spectroscopic data suggest that the Mn+-H2 complex consists of a slightly perturbed H2 molecule attached to the Mn+ ion in a T-shaped configuration with a vibrationally averaged intermolecular separation of 2.73 A. Together with the measured Mn+...H2 binding energy of 7.9 kJ/mol (Weis, P.; et al. J. Phys. Chem. A 1997, …