Perdeutero-spiropentane (C₅D₈) has been synthesized and infrared and Raman spectra are reported for the first time. Wavenumber assignments are made for most of the fundamental vibrational modes. Gas phase infrared spectra were recorded at a resolution (0.002 cm⁻¹) sufficient to resolve individual rovibrational lines and show evidence of strong Coriolis...
Interesting rovibrational characteristics of two D_(3h) oblate symmetric top molecules were studied. Hamiltonian models for the fine rovibrational level structure of [1.1.1]propellane (propellane) were obtained for many low-lying modes. Ground state parameters (GSP) that are not exclusively K^(2n) dependent were obtained. Initially, the GSP were used in conjunction with density...
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Joseph W. Nibler
Interesting rovibrational characteristics of two D3h oblate symmetric
The strained carbon ring, bicyclo[1.1.1]pentane, was synthesized by a reaction between
1-(phenylsulfanyl)bicyclo[1.1.1]pentane, prepared from propellane, and Raney nickel.
Infrared spectra were recorded at a resolution of 0.0015 cm-1, a resolution significantly
better than previous measurements, 0.06 cm-1. A single fundamental band was analyzed
to determine the ground state and excited...
The gas phase electron-diffraction (GED) technique has been the primary method used to expand our knowledge and understanding of gas-phase molecular structures. The technique yields interatomic distances and bond angles that are of use in both theoretical and experimental studies.
The GED structural parameters are thermal averages over all vibrational...
Ab initio calculations using the B3LYP and CCSD(T) methods were employed in this work to explore the most stable structure of the intriguing compound Be(BH₄)₂, for which as many as seven different structures have been proposed in the literature. Use of the B3LYP density functional method with several large basis...
The work presented in this thesis deals with the mechanisms by which a vibrationally excited diatomic molecule gives up its energy to a host monatomic lattice at low temperature. The vibrational lifetimes (v"=1) of the metal oxides Ba0 and A10 in their ground electronic states are studied using pulsed dual...
Applications of several methods of coherent nonlinear Raman Spectroscopy have been made in this thesis research. The theory and potential of one of these, Photoacoustic Raman Spectroscopy (PARS), is discussed in chapter two. Experimental results are presented which illustrate the sensitivity of this method and establish sampling conditions for maximum...
Due to its importance, the phenomenon of hydrogen
bonding has been the subject of much research over the
years. Among the different techniques used to study
hydrogen bonded systems, vibrational spectroscopy is
perhaps the most sensitive because of the striking
changes induced in molecular spectra by the formation of
hydrogen...