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Full-Text Articles in Social and Behavioral Sciences

Attachment Of Molecular Hydrogen To An Isolated Boron Cation: An Infrared And Ab Initio Study, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske May 2013

Attachment Of Molecular Hydrogen To An Isolated Boron Cation: An Infrared And Ab Initio Study, Viktoras Dryza, Berwyck L. J Poad, Evan J. Bieske

Berwyck L. J. Poad

Structural properties of the B+−H2 electrostatic complex are investigated through its rotationally resolved infrared spectrum in the H−H stretch region (3905−3975 cm−1). The spectrum, which was obtained by monitoring B+ photofragments while the IR wavelength was scanned, is consistent with the complex having a T-shaped structure and a vibrationally averaged intermolecular separation of 2.26 Å, which decreases by 0.04 Å when the H2 subunit is vibrationally excited. The H−H stretch transition of B+−H2 is red-shifted by 220.6 ± 1.5 cm−1 from that of the free H2 molecule, much more than for other dihydrogen complexes with comparable binding energies. Properties of …


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 May 2013

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 May 2013

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 May 2013

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, …


Photoelectrochemical Cell Study On Closely Arranged Vertical Nanorod Bundles Of Cdse And Zn Doped Cdse Films, D Soundararajan, J K. Yoon, J S. Kwon, Y I. Kim, S H. Kim, J H. Park, Y J. Kim, D -Y Park, B C. Kim, G G. Wallace, J M. Ko Mar 2013

Photoelectrochemical Cell Study On Closely Arranged Vertical Nanorod Bundles Of Cdse And Zn Doped Cdse Films, D Soundararajan, J K. Yoon, J S. Kwon, Y I. Kim, S H. Kim, J H. Park, Y J. Kim, D -Y Park, B C. Kim, G G. Wallace, J M. Ko

Gordon Wallace

Closely arranged CdSe and Zn doped CdSe vertical nanorod bundles were grown directly on FTO coated glass by using electrodeposition method. Structural analysis by XRD showed the hexagonal phase without any precipitates related to Zn. FE-SEM image showed end capped vertically aligned nanorods arranged closely. From the UV-vis transmittance spectra, band gap energy was found to vary between 1.94 and 1.98 eV due to the incorporation of Zn. Solar cell parameters were obtained by assembling photoelectrochemical cells using CdSe and CdSe:Zn photoanodes, Pt cathode and polysulfide (1M Na2S + 1M S + 1M NaOH) electrolyte. The efficiency was found to …


A Study On Solid Waste Management System Of Dhaka City Corporation: Effect Of Composting And Landfill Location, Faisal Ibney Hai, M. Ashraf Ali Aug 2012

A Study On Solid Waste Management System Of Dhaka City Corporation: Effect Of Composting And Landfill Location, Faisal Ibney Hai, M. Ashraf Ali

Faisal I Hai

This study has analyzed the generation and characteristics of solid waste in Dhaka city, along with the associated environmental impacts and existing solid waste management practices. Special focus was given on the effect of composting on final disposal of solid waste and effect of landfill site location on transportation cost. An estimate of the future generation rate indicates that the present generation rate of 3500 tons/day may exceed 30 thousand tons/day by the year 2020.The mixed waste dumped at dumping sites is characterized with high organic content and high moisture content (about 80% and 50-70% by weight, respectively). According to …