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Full-Text Articles in Social and Behavioral Sciences
Infrared Spectra Of The Li +_(H 2)N(N=1-3) Cation Complexes, C Emmeluth, B L. J Poad, C D. Thompson, G H. Weddle, E J. Bieske
Infrared Spectra Of The Li +_(H 2)N(N=1-3) Cation Complexes, C Emmeluth, B L. J Poad, C D. Thompson, G H. Weddle, E J. Bieske
Berwyck L. J. Poad
The Li+–(H2)n n = 1–3 complexes are investigated through infrared spectra recorded in the H–H stretch region (3980–4120 cm−1) and through ab initio calculations at the MP2∕aug-cc-pVQZ level. The rotationally resolved H–H stretch band of Li+–H2 is centered at 4053.4 cm−1 [a −108 cm−1 shift from the Q1(0) transition of H2]. The spectrum exhibits rotational substructure consistent with the complex possessing a T-shaped equilibrium geometry, with the Li+ ion attached to a slightly perturbed H2 molecule. Around 100 rovibrational transitions belonging to parallel Ka = 0‐0, 1-1, 2-2, and 3-3 subbands are observed. The Ka = 0‐0 and 1-1 transitions …
Interactions Between The Chloride Anion And Aromatic Molecules: Infrared Spectra Of The Cl-_C6h5ch3, Cl-_C6h5nh2 And Cl-_C6h5oh Complexes, Corinna Emmeluth, Berwyck L. J Poad, Christopher D. Thompson, Evan J. Bieske
Interactions Between The Chloride Anion And Aromatic Molecules: Infrared Spectra Of The Cl-_C6h5ch3, Cl-_C6h5nh2 And Cl-_C6h5oh Complexes, Corinna Emmeluth, Berwyck L. J Poad, Christopher D. Thompson, Evan J. Bieske
Berwyck L. J. Poad
The Cl-−C6H5CH3·Ar, Cl-−C6H5NH2·Ar, and Cl-−C6H5OH·Ar anion complexes are investigated using infrared photodissociation spectroscopy and ab initio calculations at the MP2/aug-cc-pVDZ level. The results indicate that for Cl-−C6H5NH2 and Cl-−C6H5OH, the Cl- anion is attached to the substituent group by a single near-linear hydrogen bond. For Cl-−C6H5CH3, the Cl- is attached to an ortho-hydrogen atom on the aromatic ring and to a hydrogen atom on the methyl group by a weaker hydrogen bond. The principal spectroscopic consequence of the hydrogen-bonding interaction in the three complexes is a red-shift and intensity increase for the CH, NH, and OH stretching modes. Complexities in …
Mixing Laser Spectroscopy And Mass Spectrometry- Infrared Spectra Of Metal Cation- Hydrogen Complexes, Vikoras Dryza, Berwyck Poad, Evan Bieske
Mixing Laser Spectroscopy And Mass Spectrometry- Infrared Spectra Of Metal Cation- Hydrogen Complexes, Vikoras Dryza, Berwyck Poad, Evan Bieske
Berwyck L. J. Poad
We describe recent experiments in which mass spectrometry and laser spectroscopy are combined to characterize Li(+)-H(2), Na(+)-H(2), B(+)-H(2), and Al(+)-H(2) complexes in the gas-phase. The infrared spectra, which feature full resolution of rotational sub-structure, are recorded by monitoring M(+) photo fragments as the infrared wavelength is scanned. The spectra deliver detailed information on the way in which a hydrogen molecule is attached to a metal cation including the intermolecular separation, the force constant for the intermolecular bond and the H-H stretching frequency. The complexes all possess T-shaped equilibrium geometries and display a clear correlation between the length and force constant …
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. …
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 …