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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 3804-3806 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The infrared absorption spectrum of the PF radical in the X 3Σ− ground electronic state has been observed using a Zeeman modulated diode laser spectrometer. The radical was produced in a multiple-reflection absorption cell by a dc glow discharge in a mixture of PH3 and CF4. The F1 and F3 spin components of five vibration–rotation transitions of the v=1–0 band have been recorded in the region of 823 to 830 cm−1. By constraining molecular constants of the v=0 state to the values previously determined by microwave spectroscopy, the band origin, the vibration–rotation constant αB=B0−B1, and the vibrational change of the spin–spin interaction constant αλ=λ1−λ0 have been determined from the observed spectrum to be 837.816 36(70), 0.004 639 4(70), and −0.005 04(91) in cm−1, respectively, with one standard deviation in parentheses. The sign of αλ is the same as those of NCl and PCl, but is opposite to those of O2, SO, S2, and SeO.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 34 (1988), S. 167-171 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this work the problem of normal vibrations of a molecule isolated in the argon gas and nitrogen gas matrix is considered. Modification of a valence force field to this problem is described, allowing the use of Lennard-Jones-type pair potentials for molecular-matrix and matrix-matrix interactions. For the selection of molecular-matrix pair potential parameters, the procedures based on combination rules are employed. To obtain the vibrational frequencies a monosubstitutional site in the crystal of an argon gas or a nitrogen gas is chosen as the most probable trapping site for the hydrogen cyanide molecule in the matrix of them. A pseudolattice method is applied to cubic 12 argon or nitrogen crystal fragments in order to eliminate the edge effect; we can obtain good results.
    Additional Material: 3 Tab.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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