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Properties Of The B+-H2 And B+-D2 Complexes: A Theoretical And Spectroscopic Study, B L. J Poad, V Dryza, A A. Buchachenko, J Kos, E J. Bieske
Properties Of The B+-H2 And B+-D2 Complexes: A Theoretical And Spectroscopic Study, B L. J Poad, V Dryza, A A. Buchachenko, J Kos, E J. Bieske
Berwyck L. J. Poad
The rotationally resolved infrared spectrum of the B+-D2 ion-neutral complex is recorded in the D-D stretch vibration region (2805–2875 cm−1) by detecting B+ photofragments. Analysis of the spectrum confirms a T-shaped equilibrium geometry for the B+-D2 complex with a vibrationally averaged intermolecular bond length of 2.247 Å, around 0.02 Å shorter than for the previously characterised B+-H2 complex [V. Dryza, B. L. J. Poad, and E. J. Bieske, J. Am. Chem. Soc. 130, 12986 (2008)10.1021/ja8018302]. The D-D stretch band centre occurs at 2839.76 ± 0.10 cm−1, representing a −153.8 cm−1 shift from the Q1(0) transition of the free D2 molecule. …
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. …
Infrared Spectra Of Mass-Selected Mg+-H2 And Mg +-D2 Complexes, Viktoras Dryza, Berwyck L. Poad, Evan J. Bieske
Infrared Spectra Of Mass-Selected Mg+-H2 And Mg +-D2 Complexes, Viktoras Dryza, Berwyck L. Poad, Evan J. Bieske
Berwyck L. J. Poad
Rotationally resolved infrared spectra of Mg(+)-H(2) and Mg(+)-D(2) are recorded in the H-H (4025-4080 cm(-1)) and D-D (2895-2945 cm(-1)) stretch regions by monitoring Mg(+) photofragments. The nu(HH) and nu(DD) transitions of Mg(+)-H(2) and Mg(+)-D(2) are red-shifted by 106.2 +/- 1.5 and 76.0 +/- 0.1 cm(-1) respectively from the fundamental vibrational transitions of the free H(2) and D(2) molecules. The spectra are consistent with a T-shaped equilibrium structure in which the Mg(+) ion interacts with a slightly perturbed H(2) or D(2) molecule. From the spectroscopic constants, a vibrationally averaged intermolecular separation of 2.716 A (2.687 A) is deduced for the ground …