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A statistical analysis of the rotational structure of the benzyl radical

Samin, Adib J, Jr.

Abstract Details

2014, Master of Science, Ohio State University, Chemical Physics.
In this work the 6a_0^1 band of the A ~ 2A_2¿X ~ 2B_2 electronic spectrum of the benzyl radical was analyzed and the rotational constants for both the ground and excited states were accurately determined. This was accomplished by using the rigid rotor asymmetric top Hamiltonian model and minimizing the Chi-squared quantity using the Levenberg-Marquardt nonlinear least squares algorithm. The model fits the experimental data well and there are no systematic errors. Moreover, joint confidence intervals accounting for the correlation between the parameters were accurately determined for each of the parameters using the support plane procedure. This led to a significant increase in the errors reported in earlier work. Finally, error propagation was carried out for ground state combination differences which led to good agreement with the observed combination differences to within experimental error.
Terry Miller (Advisor)
Sherwin Singer (Committee Member)
74 p.

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Citations

  • Samin, Jr., A. J. (2014). A statistical analysis of the rotational structure of the benzyl radical [Master's thesis, Ohio State University]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=osu1405340209

    APA Style (7th edition)

  • Samin, Jr., Adib. A statistical analysis of the rotational structure of the benzyl radical. 2014. Ohio State University, Master's thesis. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=osu1405340209.

    MLA Style (8th edition)

  • Samin, Jr., Adib. "A statistical analysis of the rotational structure of the benzyl radical." Master's thesis, Ohio State University, 2014. http://rave.ohiolink.edu/etdc/view?acc_num=osu1405340209

    Chicago Manual of Style (17th edition)