18 research outputs found

    THE 1B2(ΠΠ)1A1^{1}B_{2} (\Pi\Pi^{*}) \leftarrow ^{1}A_{1} ELECTRONIC BAND SYSTEM OF TOLUENE

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    Author Institution:The 1B2(ΠΠ)1A1^{1}B_{2}(\Pi \Pi ^{*})\leftarrow ^{1}A_{1} electronic band system of the normal isotope of toluene has been photographed and measured at high resolution. Analysis of the strong vibronic components has led to identification of active 1B2^{1}B_{2} state fundamentals. The rotational definition of the strong bands near the origin, ν00=37478.76cm1\nu_{00} = 37478.76 cm^{-1}, suggests that a band contour computation including internal rotation of the methyl group should be attempted. Preliminary results of such as asymmetric top/internal rotation computation will be presented

    IDENTIFICATION OF TORSIONAL TRANSITIONS IN THE SUPERSONIC JET SPECTRUM OF MONO-METHYL TETRAZINE

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    1. C.A. Haynam and D.H. Levy, J. Phys. Chem. 87, 2091 (1983). 2. M.A. Leugers and C.J. Seliskar, J. Mol. Spectrosc. 91, 150-164 (1982). 3. S.M. Beck, M.G. Liverman, D.L. Monts and R.E. Smalley, J. Chem. Phys. 70, 232-237 (1979).Author Institution: Department of Chemistry, University of CincinnatiIdentification of the strong torsional transitions, with m=m=±1m^{\prime}=m^{\prime\prime}=\pm 1 and delta m equal to zero, in the high-resolution laser excitation molecular beam spectrum of the methyl tetrazine 5613 {\AA} origin band recently published by Haynam and Levy (1) has been made. Use of their published tetrazine frame rotational constants with AT=5.3403cm1,AT=0.034cm1A_{T} = 5.3403 cm^{-1}, \triangle A_{T} = -0.034 cm^{-1} results in predicting the positions of the torsional transitions for J up to 3 to within about .001cm1.001 cm^{-1} precision. However, line positions for larger values of J are not adequately calculated using these constants in the asymmetric top/free internal rotor model (2), the fit worstening with increasing J. Reasons for this discrepancy are discussed. Assumption of an equilibrium distribution over both rotation and torsion states for a specified temperature does not quantitatively reproduce the observed molecular beam spectrum intensities. However, a simple model based on a suggestion of Smalley, et al. (3) does produce the observed spectral intensities in at least the simplest of the Haynam and Levy (1) spectra. Indeed, this simple model, with Trot=0.50KT_{rot} = 0.50K and Tm=1=5.0KT_{m=1} = 5.0K reproduces the published 500 PSI backing-pressure spectrum on a line-for-line basis

    ELECTRONIC BAND CONTOUR CALCULATION OF TOLUENE

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    1^{1} E. B. Wilson, JR., C. C. Lin, and D. R. Lide, JR., J. Chem. Phys. 23, 136--142 (1955).Author Institution:The rotational contour of the origin band of toluene has been computed within the framework of the asymmetric top with free internal rotation (1). With the basis |J, Ka, Kc, M, m >> and the barrier height equal to zero, the energy matrix becomes diagonal in the torsional quantum number, m, and the secular equation is then factorable into even and odd K sub-blocks. The selection rules for dipole radiation are the same as for the rigid asymmetric top with the additional constraint that Δm=\Delta m = O. A general program has been written so that the rotational band contour for any molecule in this class may be computed

    Error-Prone Polymerase, DNA Polymerase IV, Is Responsible for Transient Hypermutation during Adaptive Mutation in Escherichia coli

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    The frequencies of nonselected mutations among adaptive Lac(+) revertants of Escherichia coli strains with and without the error-prone DNA polymerase IV (Pol IV) were compared. This frequency was more than sevenfold lower in the Pol IV-defective strain than in the wild-type strain. Thus, the mutations that occur during hypermutation are due to Pol IV
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