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  • 1
    Electronic Resource
    Electronic Resource
    An electron-impact spectroscopy investigation of CH3 and some of its pyrolytic precursors (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 88-92 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electronic spectrum of the methyl radical CH3 was investigated by the technique of variable-angle electron energy-loss spectroscopy. By means of pyrolytic decomposition three possible sources of this radical were tried (tetramethyl tin, ethyl nitrite, and di-t-butyl-peroxide). The spectra of these precursors were obtained. Using di-t-butyl-peroxide, relative differential cross sections for the lowest allowed A‘2 3s Rydberg transition in CH3 (5.73 eV) were determined at incident energies of 50 and 25 eV. The behavior of the differential cross section for this band is analogous to that of a spin-allowed transition in a closed shell system and, as expected, in the vicinity of this band no transition of a spin-forbidden nature is detected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452596
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  • 2
    Electronic Resource
    Electronic Resource
    Electron-impact spectroscopy of various diketone compounds (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6701-6706 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The spectra of the diketone compounds biacetyl, acetylacetone, acetonylacetone, 1,2-cyclohexanedione, and 1,4-cyclohexanedione have been investigated by the technique of low-energy variable-angle electron energy-loss spectroscopy. With this method low-lying, spin-forbidden transitions have been observed. The energy difference between the lowest spin-allowed and spin-forbidden n→π* excitations in the acyclic diketones is found to be 0.35 eV, on average, which is nearly the same as that of comparable acyclic monoketone compounds; in 1,2-cyclohexanedione, however, this energy difference is 0.84 eV, more than twice as large. This discrepancy in the magnitude of the n→π* singlet–triplet splittings may be attributed to differing amounts of overlap between the initial and final orbitals.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452418
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  • 3
    Electronic Resource
    Electronic Resource
    The spectroscopy of the group Vlb transition metal hexacarbonyls using the electron impact method (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 6646-6653 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electron energy-loss spectra of Cr(CO)6, Mo(CO)6, and W(CO)6 were measured at impact energies of 25, 50, and 100 eV and at scattering angles from 0° to 90°. The differential cross sections (DCS's) were obtained for several features in the 3–7 eV energy-loss region. The symmetry-forbidden nature of the 1A1g→1A1g,2t2g (π)→3t2g(π*) transition in these compounds was confirmed. Several low energy excitations were assigned to ligand field transitions on the basis of the energy and angular behavior of their associated DCS's. No transitions which could clearly be assigned to singlet→triplet excitations involving metal orbitals were located in these molecules. In addition, a number of states lying above the first ionization potential were observed for the first time. Several of these excitations seem to correspond quite well to some of the transitions observed in free CO.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452411
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  • 4
    Electronic Resource
    Electronic Resource
    Electron-impact spectroscopy of acetaldehyde (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 3796-3803 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Acetaldehyde has been studied by the technique of low-energy variable-angle electron energy-loss spectroscopy. With this method the low-lying spin-forbidden transitions have been located via the behavior of the relative differential cross sections, providing the first identification by this technique of such states in acetaldehyde. High-lying states were also investigated and some assignments of dipole symmetry-forbidden/quadrupole symmetry-allowed excitations were made on the basis of characteristic angular behavior, evident for the asymmetric molecule acetaldehyde just as for the symmetric molecules formaldehyde and acetone. Through a comparison of the acetaldehyde results with those for formaldehyde and acetone the trends in the allowed and forbidden transition energies were examined as a function of methyl substitution and found to be relatively linear.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452935
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  • 5
    Electronic Resource
    Electronic Resource
    Towards a state-to-state transition state theory (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 83 (1985), S. 1671-1676 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We assume that, having arrived at the transition state, the branching into the different product states is independent of the initial quantum states of the reactants. This assumption plus the familiar transition state approximation (that the reaction rate is the rate of the passage across the barrier) yields an expression for the state-to-state cross section in terms of the state-to-all one, as well as microcanonical rate constants. Models, adiabatic correlations, purely statistical considerations, or collinear computations can provide the required input for the theory. Exact quantal computations on the 3D H + H2 reaction are found to satisfy the assumed factorization quite well. Furthemore, reaction probabilities derived from a line-of-centers model, with a barrier height dependent on the approach angle, account for the probabilities derived from the exact quantal computation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.449405
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  • 6
    Electronic Resource
    Electronic Resource
    High-energy overtone spectroscopy of some deuterated methanes (1985)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 82 (1985), S. 1195-1211 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High-energy overtone photoacoustic spectroscopy of gas phase CHD3 (ΔvCH=5,6, and 7), CH2D2, CH3D, and CH4 (ΔvCH=6) is reported. The overtone and combination bands of CHD3 display partially resolved rotational structure with laser limited linewidths (∼0.5 cm−1). A combination sum analysis is used to generate excited state rotational constants B′. We present an analysis of the Fermi resonances of CHD3 which indicates strong interactions of the CH stretch with degenerate bending modes. The relative intensities of the Fermi interacting states are in agreement with those calculated from an analysis based on frequency shifts and a two or three level model. However, the rotational B′ constants are not explained by such simple models indicating further interactions with states as yet unobserved. An upper limit of 10 cm−1 is estimated for the splitting of the ||6,0〉± local mode states for CH2D2, giving support to a description based on the local mode picture. For CH3D and CH4 the spectra are apparently congested by overlapping overtone and combination bands and perhaps other mechanisms not identified in this work. Generally, our results emphasize the importance of the interactions of CH stretching with CH bending motions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.448493
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  • 7
    Electronic Resource
    Electronic Resource
    Few body molecular collisions: Theoretical
    Amsterdam : Elsevier
    Nuclear Physics, Section A 353 (1981), S. 287-294 
    Details
    ISSN: 0375-9474
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0375-9474(81)90716-8
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  • 8
    Electronic Resource
    Electronic Resource
    Triplet states in 1,3-butadiene
    Amsterdam : Elsevier
    Chemical Physics Letters 19 (1973), S. 332-333 
    Details
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0009-2614(73)80371-9
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  • 9
    Electronic Resource
    Electronic Resource
    Quantum initial conditions in quasi-classical trajectory calculations
    Amsterdam : Elsevier
    Chemical Physics Letters 19 (1973), S. 21-25 
    Details
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0009-2614(73)87052-6
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  • 10
    Electronic Resource
    Electronic Resource
    Quantum mechanical partitioning of kinetic energy in collision-induced dissociation
    Amsterdam : Elsevier
    Chemical Physics Letters 115 (1985), S. 158-163 
    Details
    ISSN: 0009-2614
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0009-2614(85)80670-9
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